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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1213271
CHEMBL1213271
Compound Name 2-AMINO-1-METHYL-6- PHENYLIMIDAZO[4,5- B]PYRIDINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H12N4

Additional synonyms for CHEMBL1213271 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1c(N)nc2ncc(cc12)c3ccccc3
Standard InChI InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16- ...
Download InChI
Standard InChI Key UQVKZNNCIHJZLS-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1213271

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
224.3 224.1062 1.91 1 56.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.72 2.44 2.36 3 17 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL1213271. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UQVKZNNCIHJZLS-UHFFFAOYSA-N
Wikipedia 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1213271



ACToR 105650-23-5
Brenda 33683
ChEBI 76290
DrugBank DB08398
eMolecules 917825
EPA CompTox Dashboard DTXSID3037628
FDA SRS 909C6UN66T
Human Metabolome Database HMDB0041008
IBM Patent System 85ACFE519745581D22A98AB97D736960
KEGG Ligand C16038
MolPort MolPort-001-759-123
Nikkaji J258.694K
PDBe PIQ
PubChem 1530
PubChem: Thomson Pharma 14773663
SureChEMBL SCHEMBL151718
ZINC ZINC000001850101

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