The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
N-((6-(Biphenyl-2-yl)-3-hydroxypyridin-2-yl)carbonyl)glycine ID: ALA5219491
Chembl Id: CHEMBL5219491
PubChem CID: 168299817
Max Phase: Preclinical
Molecular Formula: C20H16N2O4
Molecular Weight: 348.36
Associated Items:
Names and Identifiers Canonical SMILES: O=C(O)CNC(=O)c1nc(-c2ccccc2-c2ccccc2)ccc1O
Standard InChI: InChI=1S/C20H16N2O4/c23-17-11-10-16(22-19(17)20(26)21-12-18(24)25)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,23H,12H2,(H,21,26)(H,24,25)
Standard InChI Key: CWMDDHZCTORRMW-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 348.36Molecular Weight (Monoisotopic): 348.1110AlogP: 2.94#Rotatable Bonds: 5Polar Surface Area: 99.52Molecular Species: ACIDHBA: 4HBD: 3#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 3.49CX Basic pKa: 1.61CX LogP: 3.58CX LogD: 0.17Aromatic Rings: 3Heavy Atoms: 26QED Weighted: 0.66Np Likeness Score: -0.37
References 1. Shishodia S, Demetriades M, Zhang D, Tam NY, Maheswaran P, Clunie-O'Connor C, Tumber A, Leung IKH, Ng YM, Leissing TM, El-Sagheer AH, Salah E, Brown T, Aik WS, McDonough MA, Schofield CJ.. (2021) Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors., 64 (22.0): [PMID:34762429 ] [10.1021/acs.jmedchem.1c01204 ]
