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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL556667
CHEMBL556667
Compound Name
ChEMBL Synonyms N-(3-Chlorophenyl)Picolinamide
Max Phase 0
Trade Names
Molecular Formula C12H9ClN2O

Additional synonyms for CHEMBL556667 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(NC(=O)c2ccccn2)c1
Standard InChI InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-1 ...
Download InChI
Standard InChI Key SUYUTNCKIOLMAJ-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL556667

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
232.7 232.0403 2.99 2 41.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.24 2.35 3.53 3.53 2 16 0.87

Structural Alerts

There are no structural alerts for CHEMBL556667

Compound Cross References

ChemSpider ChemSpider:SUYUTNCKIOLMAJ-UHFFFAOYSA-N
PubChem SID: 85240655

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL556667



BindingDB 50293743
eMolecules 30154000
EPA CompTox Dashboard DTXSID00356877
Guide to Pharmacology 6234
IBM Patent System F12EF7C561A8EE49F37DC747AB6FA053
Mcule MCULE-4482027140
MolPort MolPort-002-826-420
Nikkaji J3.290.936A
PubChem 836002
PubChem: Thomson Pharma 81083915
Selleck vu-0364770
SureChEMBL SCHEMBL2530324
ZINC ZINC000000362766

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