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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL145767
CHEMBL145767
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H14N8O3

Additional synonyms for CHEMBL145767 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(NC(=O)Nc2nc3n[nH]cc3c4nc(nn24)c5occc5)cc1
Standard InChI InChI=1S/C18H14N8O3/c1-28-11-6-4-10(5-7-11)20-18(27)23-17-22 ...
Download InChI
Standard InChI Key FQZFDCXROFCGHP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL145767

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
390.4 390.1189 2.91 4 135.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 11 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.19 1.1 2.67 - 5 29 0.43

Structural Alerts

There are no structural alerts for CHEMBL145767

Compound Cross References

ChemSpider ChemSpider:FQZFDCXROFCGHP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL145767



BindingDB 50094696
Nikkaji J1.477.818G
PubChem: Thomson Pharma 14756454
ZINC ZINC000013554867

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