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4-(1-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)benzamide ID: ALA551283
Chembl Id: CHEMBL551283
PubChem CID: 23658384
Max Phase: Preclinical
Molecular Formula: C22H17FN4O
Molecular Weight: 372.40
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cccc(-c2nc(-c3ccc(C(N)=O)cc3)cn2-c2ccc(F)cc2)n1
Standard InChI: InChI=1S/C22H17FN4O/c1-14-3-2-4-19(25-14)22-26-20(15-5-7-16(8-6-15)21(24)28)13-27(22)18-11-9-17(23)10-12-18/h2-13H,1H3,(H2,24,28)
Standard InChI Key: FIZVXIIJZJVTOZ-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 372.40Molecular Weight (Monoisotopic): 372.1386AlogP: 4.15#Rotatable Bonds: 4Polar Surface Area: 73.80Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 1.89CX LogP: 4.09CX LogD: 4.09Aromatic Rings: 4Heavy Atoms: 28QED Weighted: 0.58Np Likeness Score: -1.54
References 1. Li X, Wang L, Long L, Xiao J, Hu Y, Li S.. (2009) Synthesis and biological evaluation of 1,2,4-trisubstituted imidazoles and 1,3,5-trisubstituted pyrazoles as inhibitors of transforming growth factor beta type 1 receptor (ALK5)., 19 (16): [PMID:19616940 ] [10.1016/j.bmcl.2009.04.066 ]