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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL386167
CHEMBL386167
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12ClN3O2S2

Additional synonyms for CHEMBL386167 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(Cl)c1NC(=O)c2cnc(NC(=O)c3ccsc3)s2
Standard InChI InChI=1S/C16H12ClN3O2S2/c1-9-3-2-4-11(17)13(9)19-15(22)12-7- ...
Download InChI
Standard InChI Key AXHZNKYAUCLFEQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL386167

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
377.9 377.0059 4.67 4 71.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.05 .62 3.52 2.84 3 24 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL386167. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AXHZNKYAUCLFEQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL386167



BindingDB 13252
IBM Patent System FC61308EA9327E39FA77602FC587ACB6
PubChem 21911536
SureChEMBL SCHEMBL773376
ZINC ZINC000014952121

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