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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1895252
CHEMBL1895252
Compound Name BENSULIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H24NO4PS3

Additional synonyms for CHEMBL1895252 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1
Standard InChI InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15 ...
Download InChI
Standard InChI Key RRNIZKPFKNDSRS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1895252

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
397.5 397.0605 3.77 10 64.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.21 - 4.22 4.22 1 23 0.48

Structural Alerts

There are 8 structural alerts for CHEMBL1895252. To view alerts please click here.

Compound Cross References

HRAC N - INHIBITION OF LIPID SYNTHESIS - NOT ACCASE INHIBITION
N2 - PHOSPHORODITHIOATE
N21 - BENSULIDE
ChemSpider ChemSpider:RRNIZKPFKNDSRS-UHFFFAOYSA-N
PubChem SID: 144211050 SID: 50113087 SID: 50113088

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1895252



ACToR 741-58-2 39291-71-9
ChEBI 81899
eMolecules 509560
EPA CompTox Dashboard DTXSID9032329
FDA SRS 9882BW2Q2S
IBM Patent System 863D26E507F592160FD02D932011B28F
KEGG Ligand C18703
Nikkaji J4.403B
PubChem 12932
PubChem: Thomson Pharma 15005240
SureChEMBL SCHEMBL55205
ZINC ZINC000002031228

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RRNIZKPFKNDSRS-UHFFFAOYSA-N spacer
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