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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL265758
CHEMBL265758
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H8N6O3

Additional synonyms for CHEMBL265758 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(O)c2nn(nc2n1)c3cccc(c3)C(=O)O
Standard InChI InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1 ...
Download InChI
Standard InChI Key KNLLRZNGRRRPEW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL265758

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
272.2 272.0658 0.2 2 140.04 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.86 10.29 3.02 -.48 3 20 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL265758. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KNLLRZNGRRRPEW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL265758



BindingDB 50143061
Brenda 59065
DrugBank DB01906
IBM Patent System 214D6EC7BADF742B23B8A4E92059EDC8
PDBe A45
PubChem 448406
PubChem: Thomson Pharma 16240909
SureChEMBL SCHEMBL5003802
ZINC ZINC000006535065

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