Flubendazole (CED0007989)

Record Information

Version

1.0

Creation Date

2016-05-25 03:14:48 UTC

Update Date

2026-08-19 13:58:52 UTC

SynCED ID

CED0007989

Secondary Accession Numbers

CHEM021209

Identification

Common Name

Flubendazole

Class

Small Molecule

Description

Flubendazole is an organic compound with the chemical formula C16H12FN3O3 and an average molecular weight of 313.28 g/mol. Flubendazole belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. The compound is found in or released from two recorded sources: healthcare, pharmaceuticals & veterinary products (specifically anthelmintics) and food, food processing & cookware (specifically the preparation of malt). The recorded exposure route for this substance is oral. In terms of biological activity, flubendazole interacts with nine recorded protein targets. It acts as an inhibitor of the tubulin beta chain (TUBB), tubulin alpha-3D chain (TUBA3D), tubulin alpha-1B chain (TUBA1B), and tubulin alpha-4A chain (TUBA4A), as well as five other proteins.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(5-(4-Fluorobenzoyl)-1H-benzimidazole-2-yl)carbamic acid methyl ester	ChEBI
Flubendazol	ChEBI
Flubendazolum	ChEBI
Methyl 5-(p-fluorobenzoyl)-2-benzimidazolecarbamate	ChEBI
Methyl N-(5-(p-fluorobenzoyl)-2-benzimidazolyl)carbamate	ChEBI
R 17,889	ChEBI
R 17899	ChEBI
(5-(4-Fluorobenzoyl)-1H-benzimidazole-2-yl)carbamate methyl ester	Generator
Methyl 5-(p-fluorobenzoyl)-2-benzimidazolecarbamic acid	Generator
Methyl N-(5-(p-fluorobenzoyl)-2-benzimidazolyl)carbamic acid	Generator
Fluoromebendazole	MeSH
Methyl(5-(4-fluorobenzoyl)-1H-benzimidazol- 2-yl)carbamate	MeSH

Chemical Formula

C₁₆H₁₂FN₃O₃

Average Molecular Mass

313.283 g/mol

Monoisotopic Mass

313.086 g/mol

CAS Registry Number

31430-15-6

IUPAC Name

N-[6-(4-fluorobenzoyl)-1H-1,3-benzodiazol-2-yl]methoxycarboximidic acid

Traditional Name

flubenol

SMILES

COC(O)=NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=C(F)C=C1

InChI Identifier

InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)

InChI Key

CPEUVMUXAHMANV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzophenones

Direct Parent

Benzophenones

Alternative Parents

Substituents

Benzophenone
Aryl-phenylketone
Benzimidazole
Benzoyl
Aryl ketone
Fluorobenzene
Halobenzene
Aryl fluoride
Aryl halide
Azole
Heteroaromatic compound
Imidazole
Ketone
Azacycle
Carboximidic acid derivative
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organohalogen compound
Organofluoride
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organofluorine compound (CHEBI:77095 )
carbamate ester (CHEBI:77095 )
aromatic ketone (CHEBI:77095 )
benzimidazoles (CHEBI:77095 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

anthelminthic drug (PMC8951012 , PMC8951012 )?
pharmaceutical (PMC13437658 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.033 g/L	ALOGPS
logP	2.51	ALOGPS
logP	4.1	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	7.08	ChemAxon
pKa (Strongest Basic)	1.92	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	87.57 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	82.74 m³·mol⁻¹	ChemAxon
Polarizability	31.23 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00di-0890000000-69159b2b2aa95c680cf6	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0198000000-ad357fad2b18a1b648ee	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03e9-0089000000-e04b0b731533f8112b91	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-09ab37b37e752ba026bd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-804d1ce3b933d98a1904	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0190000000-e0a6ed18cc69dc5cf84a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-053r-0980000000-5c0aa3b4d38bcd6fb12c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0910000000-0a53860f33fe45815482	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05r0-0900000000-d4077a92136d65ecbee6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-016r-3900000000-d13998d1eb0c65b5a1b8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03y0-9600000000-e6777358dfecc9e23e65	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0009000000-00378605da5e78f59845	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01q9-0096000000-b7bc88e41f073dddd1fc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-ec42c2f86fedbe978146	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0390000000-a5f9e7c564f9f267e4ca	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0930000000-ad2caeb5e801ae6d5e75	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0092000000-2eb327cb15242360302c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0009000000-ed0f29d23de7528633c3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01q9-0094000000-53b52e08055d44f10394	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-312b44aac443f8566f31	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0089-0980000000-5fcff415c412282cfe60	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0910000000-7c691c36f94573a8c169	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-1900000000-cafd43085d16dddb01af	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00fr-4900000000-a1c4ed5a045f5adaf9ec	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00b9-9400000000-ce35e55064487202d440	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-9100000000-fea2d4c7c1e24281e607	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-1495000000-aa397d2a67cb9ea6bd78	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0198000000-ad357fad2b18a1b648ee	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-804d1ce3b933d98a1904	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0910000000-3526f67aabbcd41e74e5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-053r-0970000000-e176d06d5d32e14d5ce9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-09ab37b37e752ba026bd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03e9-0089000000-5a4260d58b85a929cc21	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0192000000-34d4cddd5ce7a40f0475	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0930000000-ad2caeb5e801ae6d5e75	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-7cf7dee6693ee4cffb63	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0390000000-a5f9e7c564f9f267e4ca	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-ec42c2f86fedbe978146	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0009000000-00378605da5e78f59845	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01q9-0096000000-b7bc88e41f073dddd1fc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-b18584ec9e97c300e40e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01q9-0094000000-53b52e08055d44f10394	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0092000000-be34b760aca7cbef8a16	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0009000000-ed0f29d23de7528633c3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0910000000-7016a6f11a36489063d6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0089-0890000000-e923489c83ffd6f818d1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-1900000000-3e23537002dc3e69c61d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-03448f876b33fec5f465	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0069000000-36334c1c1c7ab566d73b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ue9-0190000000-ceda8ce92b9943f3fa4d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-1590000000-23373ced8ca05e0acfaa	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-06si-4095000000-339123f66f2e790f0c12	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-2092000000-1f436b5c4c3a968f2efe	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-2290000000-1657724c133e282c6178	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0059000000-b6453c743ebbc15e1a98	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0091000000-10569948a8a3501c211e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0239-0980000000-3a8805c5794f8ceb01e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0091000000-561272e976c41af6cd65	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0090000000-3eb3fbb0ca541c89a967	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-1090000000-c5176f2267878c6acc81	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2624.0 Log mg/kg [1500:4700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000013	Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.	Agriculture & land management	PMC13437658 , PMC13437658
CEDs000386	Anthelmintics?Anthelmintics are synthetic chemicals used to treat parasitic infections caused by helminths, including worms such as nematodes and cestodes.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000464	Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.	Waste management, landfill & incineration	PMC8951012
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000547	Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.	Food, food processing & cookware	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs03009	Waste Water	Wastewater, sanitation & biosolids	PMC8951012

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.407 Statistical Significance 0.0918 Supporting Reference Compounds 927 E-value 715.045
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.407 Statistical Significance 0.2111 Supporting Reference Compounds 1660 E-value 1643.16
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.371 Statistical Significance 0.1476 Supporting Reference Compounds 793 E-value 1149.13
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.371 Statistical Significance 0.3068 Supporting Reference Compounds 1538 E-value 2388.8
Click to view 3D structure	Mitogen-activated protein kinase 9	P45984	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.371 Statistical Significance 0.1734 Supporting Reference Compounds 758 E-value 1350.29
Click to view 3D structure	Casein kinase I isoform alpha	P67827	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.274 Low confidence Statistical Significance 0.0031 Supporting Reference Compounds 1 E-value 23.9776
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.371 Statistical Significance 0.2766 Supporting Reference Compounds 1245 E-value 2153.39
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.371 Statistical Significance 0.254 Supporting Reference Compounds 1130 E-value 1977.53
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.407 Statistical Significance 0.2434 Supporting Reference Compounds 1158 E-value 1894.69
Click to view 3D structure	2-Hydroxyacid oxidase 2	Q9NYQ3	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.266 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 16.9711
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.344 Statistical Significance 0.0358 Supporting Reference Compounds 182 E-value 278.7
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.273 Low confidence Statistical Significance 0.2214 Supporting Reference Compounds 668 E-value 1723.82
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.3 Statistical Significance 0.1993 Supporting Reference Compounds 553 E-value 1551.22
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.313 Statistical Significance 0.1282 Supporting Reference Compounds 506 E-value 997.716
Click to view 3D structure	Methionine aminopeptidase	P0AE18	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.407 Statistical Significance 0.0021 Supporting Reference Compounds 13 E-value 16.504
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.344 Statistical Significance 0.079 Supporting Reference Compounds 343 E-value 615.32
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.313 Statistical Significance 0.081 Supporting Reference Compounds 303 E-value 630.579
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.274 Low confidence Statistical Significance 0.1922 Supporting Reference Compounds 686 E-value 1496.65
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.274 Low confidence Statistical Significance 0.2344 Supporting Reference Compounds 823 E-value 1824.63
Click to view 3D structure	Casein kinase I isoform epsilon	P49674	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.278 Low confidence Statistical Significance 0.0839 Supporting Reference Compounds 185 E-value 653.466
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.274 Low confidence Statistical Significance 0.2376 Supporting Reference Compounds 953 E-value 1849.54
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.274 Low confidence Statistical Significance 0.1727 Supporting Reference Compounds 565 E-value 1344.61
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.298 Low confidence Statistical Significance 0.1156 Supporting Reference Compounds 269 E-value 899.703
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.274 Low confidence Statistical Significance 0.1304 Supporting Reference Compounds 365 E-value 1015.23
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.274 Low confidence Statistical Significance 0.1287 Supporting Reference Compounds 337 E-value 1001.61