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4-Phenyl-1H-imidazo[4,5-c]pyridin-2-amine

ID: ALA2153267

Chembl Id: CHEMBL2153267

PubChem CID: 52936348

Max Phase: Preclinical

Molecular Formula: C12H10N4

Molecular Weight: 210.24

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Nc1nc2c(-c3ccccc3)nccc2[nH]1

Standard InChI:  InChI=1S/C12H10N4/c13-12-15-9-6-7-14-10(11(9)16-12)8-4-2-1-3-5-8/h1-7H,(H3,13,15,16)

Standard InChI Key:  FPXFUSUCOYNPNT-UHFFFAOYSA-N

Alternative Forms

Associated Targets(Human)

CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Aorta (2975 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1A1 Casein kinase I isoform alpha (80 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dyrk1a Dual specificity tyrosine-phosphorylation-regulated kinase 1A (1629 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Calculated Properties

Molecular Weight: 210.24Molecular Weight (Monoisotopic): 210.0905AlogP: 2.21#Rotatable Bonds: 1
Polar Surface Area: 67.59Molecular Species: NEUTRALHBA: 3HBD: 2
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 11.24CX Basic pKa: 5.74CX LogP: 1.93CX LogD: 1.92
Aromatic Rings: 3Heavy Atoms: 16QED Weighted: 0.65Np Likeness Score: -0.39

References

1. Shengule SR, Loa-Kum-Cheung WL, Parish CR, Blairvacq M, Meijer L, Nakao Y, Karuso P..  (2011)  A one-pot synthesis and biological activity of ageladine A and analogues.,  54  (7): [PMID:21413800] [10.1021/jm200039m]

Source