Lotilaner (CED0013958)

Record Information

Version

1.0

Creation Date

2026-04-14 21:52:36 UTC

Update Date

2026-08-20 04:33:29 UTC

SynCED ID

CED0013958

Secondary Accession Numbers

CHEM135266

Identification

Common Name

Lotilaner

Class

Small Molecule

Description

Lotilaner is an organic compound with the formula C20H14Cl3F6N3O3S. Lotilaner belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 596.75 g/mol, Lotilaner is a heavy molecule. It is found in healthcare, pharmaceuticals, and veterinary products as an antiinfective, with recorded ophthalmic exposure. Regarding its biological activity, it is a putative antagonist of the Gaba-gated chloride channel (8239847).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₁₄Cl₃F₆N₃O₃S

Average Molecular Mass

596.750 g/mol

Monoisotopic Mass

594.973 g/mol

CAS Registry Number

1369852-71-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=C(SC(=C1)C1=NO[C@@](C1)(C1=CC(Cl)=C(Cl)C(Cl)=C1)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F

InChI Identifier

InChI=1S/C20H14Cl3F6N3O3S/c1-8-2-13(36-16(8)17(34)30-6-14(33)31-7-19(24,25)26)12-5-18(35-32-12,20(27,28)29)9-3-10(21)15(23)11(22)4-9/h2-4H,5-7H2,1H3,(H,30,34)(H,31,33)/t18-/m1/s1

InChI Key

HDKWFBCPLKNOCK-SFHVURJKSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

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

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5611.0 Log mg/kg [3200:10000]	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
CEDs000395	Antiinfectives?Anti-infectives are a class of synthetic chemicals designed to combat infections caused by bacteria, viruses, fungi, and parasites.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	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
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	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
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	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
CEDs000607	Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.	Agriculture & land management	PubChem
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	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

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 0.21 Applicability Domain 0.226 Low confidence Statistical Significance 0.7563 Supporting Reference Compounds 927 E-value 5887.81
Click to view 3D structure	Serine/threonine-protein kinase B-raf	P15056	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.226 Low confidence Statistical Significance 0.5068 Supporting Reference Compounds 337 E-value 3945.55
Click to view 3D structure	RAF proto-oncogene serine/threonine-protein kinase	P04049	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.226 Low confidence Statistical Significance 0.4787 Supporting Reference Compounds 263 E-value 3726.33
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.226 Low confidence Statistical Significance 0.7986 Supporting Reference Compounds 1017 E-value 6217.04
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.226 Low confidence Statistical Significance 0.828 Supporting Reference Compounds 1274 E-value 6446.23
Click to view 3D structure	C-C chemokine receptor type 2	P41597	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.221 Low confidence Statistical Significance 0.2005 Supporting Reference Compounds 72 E-value 1561.11
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.216 Low confidence Statistical Significance 0.8946 Supporting Reference Compounds 1130 E-value 6964.31
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.216 Low confidence Statistical Significance 0.9175 Supporting Reference Compounds 1245 E-value 7142.98
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.226 Low confidence Statistical Significance 0.8521 Supporting Reference Compounds 1130 E-value 6633.84
Click to view 3D structure	Cyclin-dependent kinase 7	P50613	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.226 Low confidence Statistical Significance 0.6872 Supporting Reference Compounds 406 E-value 5350.03
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.226 Low confidence Statistical Significance 0.8052 Supporting Reference Compounds 906 E-value 6268.11
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.216 Low confidence Statistical Significance 0.864 Supporting Reference Compounds 793 E-value 6725.86
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.216 Low confidence Statistical Significance 0.9369 Supporting Reference Compounds 1538 E-value 7293.77
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.226 Low confidence Statistical Significance 0.7982 Supporting Reference Compounds 833 E-value 6213.92
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.226 Low confidence Statistical Significance 0.8436 Supporting Reference Compounds 1158 E-value 6567.36
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.226 Low confidence Statistical Significance 0.834 Supporting Reference Compounds 961 E-value 6492.55
Click to view 3D structure	Tyrosine-protein kinase HCK	P08631	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.226 Low confidence Statistical Significance 0.561 Supporting Reference Compounds 293 E-value 4367.42
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.226 Low confidence Statistical Significance 0.8719 Supporting Reference Compounds 1157 E-value 6788.06
Click to view 3D structure	Ribosomal protein S6 kinase beta-1	P23443	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.226 Low confidence Statistical Significance 0.7772 Supporting Reference Compounds 590 E-value 6050.6
Click to view 3D structure	Leucine-rich repeat serine/threonine-protein kinase 2	Q5S007	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.226 Low confidence Statistical Significance 0.6849 Supporting Reference Compounds 336 E-value 5331.82
Click to view 3D structure	Fibroblast growth factor receptor 2	P21802	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.226 Low confidence Statistical Significance 0.5468 Supporting Reference Compounds 242 E-value 4256.95
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.226 Low confidence Statistical Significance 0.8186 Supporting Reference Compounds 905 E-value 6372.97
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.204 Low confidence Statistical Significance 0.9415 Supporting Reference Compounds 1498 E-value 7329.5
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.226 Low confidence Statistical Significance 0.8885 Supporting Reference Compounds 1660 E-value 6916.59
Click to view 3D structure	Mitogen-activated protein kinase 9	P45984	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.226 Low confidence Statistical Significance 0.8278 Supporting Reference Compounds 758 E-value 6444.44