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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL487738
CHEMBL487738
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H9ClN4O2S

Additional synonyms for CHEMBL487738 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
Standard InChI InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7) ...
Download InChI
Standard InChI Key RSNSGNZRUMHXAY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL487738

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
284.7 284.0135 1.52 3 97.97 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.79 .11 1.44 1.43 2 18 0.89

Structural Alerts

There are 2 structural alerts for CHEMBL487738. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RSNSGNZRUMHXAY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL487738



BindingDB 24631
DrugBank DB08134
IBM Patent System 8463463EC0B7FAA6636EA548B04557C0
PDBe LZ4
PubChem 9994066
PubChem: Thomson Pharma 14973163
SureChEMBL SCHEMBL6659290
ZINC ZINC000016052861

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