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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1625467
CHEMBL1625467
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H11N5

Additional synonyms for CHEMBL1625467 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(N=Nc2ccccc2)c(N)n1
Standard InChI InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5 ...
Download InChI
Standard InChI Key QPFYXYFORQJZEC-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1625467

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
213.2 213.1014 2.66 2 89.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.49 2.21 2.21 2 16 0.75

Structural Alerts

There are 8 structural alerts for CHEMBL1625467. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QPFYXYFORQJZEC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1625467



ACToR 94-78-0
ChEBI 71416
EPA CompTox Dashboard DTXSID1023445
Guide to Pharmacology 7616
IBM Patent System 53F7BD72B8B2388292266F87D61B40EF
LINCS LSM-3705
Mcule MCULE-2762400178
PharmGKB PA164746899
PubChem 4756
ZINC ZINC000012358980

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