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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276808
CHEMBL276808
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H10ClN5OS

Additional synonyms for CHEMBL276808 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(O)c2[nH]c(SCc3ccc(Cl)cc3)nc2n1
Standard InChI InChI=1S/C12H10ClN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12 ...
Download InChI
Standard InChI Key MVZVAYOBERRXEC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL276808

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
307.8 307.0295 2.59 3 100.71 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.02 9.42 2.78 1.12 3 20 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL276808. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MVZVAYOBERRXEC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276808



BindingDB 50125760
Brenda 213797
PDBe 5RX
PubChem 861231
ZINC ZINC000004133984

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