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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
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Calculated Properties Molecular Weight: 210.24Molecular Weight (Monoisotopic): 210.0905AlogP: 2.21#Rotatable Bonds: 1Polar 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: 1.92Aromatic 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 ]