Bensuldazic acid (CED0000109)

Record Information

Version

1.0

Creation Date

2026-04-15 17:49:20 UTC

Update Date

2026-05-14 20:42:15 UTC

SynCED ID

CED0000109

Secondary Accession Numbers

CHEM137352

Identification

Common Name

Bensuldazic acid

Class

Small Molecule

Description

Bensuldazic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C12H14N2O2S2 and an average molecular weight of 282.38 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₄N₂O₂S₂

Average Molecular Mass

282.380 g/mol

Monoisotopic Mass

282.050 g/mol

CAS Registry Number

1219-77-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC(=O)CN1CSC(=S)N(CC2=CC=CC=C2)C1

InChI Identifier

InChI=1S/C12H14N2O2S2/c15-11(16)7-13-8-14(12(17)18-9-13)6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)

InChI Key

TUMWSYRTKGBCAG-UHFFFAOYSA-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
577.0 Log mg/kg [320:1000]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
No Sources linked to this compound

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	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.377 Statistical Significance 0.0043 Supporting Reference Compounds 84 E-value 33.7087
Click to view 3D structure	Dolichyl-phosphate-mannose--protein mannosyltransferase 1	O74189	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.308 Statistical Significance 8.20e-04 Supporting Reference Compounds 1 E-value 6.38364
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.35 Statistical Significance 0.031 Supporting Reference Compounds 229 E-value 241.644
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.35 Statistical Significance 0.0633 Supporting Reference Compounds 562 E-value 493.019
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P16116	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.323 Statistical Significance 0.0028 Supporting Reference Compounds 21 E-value 21.5642
Click to view 3D structure	Patatin-like phospholipase domain-containing protein 6	Q3TRM4	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.283 Low confidence Statistical Significance 0.0048 Supporting Reference Compounds 1 E-value 37.6012
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.315 Statistical Significance 0.085 Supporting Reference Compounds 528 E-value 661.718
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P07943	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.321 Statistical Significance 0.0072 Supporting Reference Compounds 70 E-value 56.2071
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.305 Statistical Significance 0.216 Supporting Reference Compounds 1157 E-value 1681.39
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.315 Statistical Significance 0.0704 Supporting Reference Compounds 380 E-value 548.292
Click to view 3D structure	Mast cell carboxypeptidase A	P15088	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.277 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 2 E-value 32.6188
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.377 Statistical Significance 0.0091 Supporting Reference Compounds 49 E-value 71.0763
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.323 Statistical Significance 0.0674 Supporting Reference Compounds 269 E-value 524.859
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.292 Low confidence Statistical Significance 0.1893 Supporting Reference Compounds 1103 E-value 1473.37
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.305 Statistical Significance 0.3784 Supporting Reference Compounds 1498 E-value 2946.05
Click to view 3D structure	Adiponectin receptor protein 2	Q86V24	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.266 Low confidence Statistical Significance 0.015 Supporting Reference Compounds 1 E-value 116.852
Click to view 3D structure	Adiponectin receptor protein 1	Q96A54	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.266 Low confidence Statistical Significance 0.015 Supporting Reference Compounds 1 E-value 116.852
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.288 Low confidence Statistical Significance 0.1062 Supporting Reference Compounds 406 E-value 826.525
Click to view 3D structure	Voltage-dependent T-type calcium channel subunit alpha-1G	O43497	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.29 Low confidence Statistical Significance 0.0068 Supporting Reference Compounds 27 E-value 53.2489
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.298 Low confidence Statistical Significance 0.1478 Supporting Reference Compounds 527 E-value 1150.3
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.315 Statistical Significance 0.1311 Supporting Reference Compounds 541 E-value 1020.29
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.295 Low confidence Statistical Significance 0.192 Supporting Reference Compounds 553 E-value 1495.09
Click to view 3D structure	Poly(ADP-ribose) glycohydrolase	I6L8L7	Tetrahymena thermophila	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.261 Low confidence Statistical Significance 6.10e-04 Supporting Reference Compounds 1 E-value 4.7488
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.292 Low confidence Statistical Significance 0.2013 Supporting Reference Compounds 953 E-value 1567.03
Click to view 3D structure	Sigma intracellular receptor 2	Q5U3Y7	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.305 Statistical Significance 0.0547 Supporting Reference Compounds 110 E-value 426.147