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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3314808
CHEMBL3314808
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H12ClN3O2

Additional synonyms for CHEMBL3314808 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(c1)C(=O)Nc2cncc(Oc3cccnc3)c2
Standard InChI InChI=1S/C17H12ClN3O2/c18-13-4-1-3-12(7-13)17(22)21-14-8-16( ...
Download InChI
Standard InChI Key CXLDVNGGEFBOLV-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3314808

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
325.8 325.0618 4.17 4 64.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.48 3.92 2.85 2.85 3 23 0.78

Structural Alerts

There are no structural alerts for CHEMBL3314808

Compound Cross References

ChemSpider ChemSpider:CXLDVNGGEFBOLV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3314808



BindingDB 104718
PubChem 50990951
PubChem: Thomson Pharma 117636777
SureChEMBL SCHEMBL1487647
ZINC ZINC000068267022

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