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2-(5-(4-fluoro-3-methyl-1H-indazol-1-yl)pyridin-3-yl)propan-2-ol ID: ALA4080420
Chembl Id: CHEMBL4080420
PubChem CID: 118496546
Max Phase: Preclinical
Molecular Formula: C16H16FN3O
Molecular Weight: 285.32
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1nn(-c2cncc(C(C)(C)O)c2)c2cccc(F)c12
Standard InChI: InChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3
Standard InChI Key: FIYGPZYNIQQISM-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
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: 285.32Molecular Weight (Monoisotopic): 285.1277AlogP: 3.10#Rotatable Bonds: 2Polar Surface Area: 50.94Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 4.41CX LogP: 2.06CX LogD: 2.06Aromatic Rings: 3Heavy Atoms: 21QED Weighted: 0.79Np Likeness Score: -1.26
References 1. Hoyt SB, Taylor J, London C, Ali A, Ujjainwalla F, Tata J, Struthers M, Cully D, Wisniewski T, Ren N, Bopp C, Sok A, Verras A, McMasters D, Chen Q, Tung E, Tang W, Salituro G, Clemas J, Zhou G, MacNeil D, Duffy R, Xiong Y.. (2017) Discovery of indazole aldosterone synthase (CYP11B2) inhibitors as potential treatments for hypertension., 27 (11): [PMID:28416132 ] [10.1016/j.bmcl.2017.04.021 ]
