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1-(Cyclopropylmethyl)-6-ethyl-4-((ethyl(4-fluorophenyl)amino)methyl)pyridin-2(1H)-one ID: ALA5278624
Chembl Id: CHEMBL5278624
Max Phase: Preclinical
Molecular Formula: C20H25FN2O
Molecular Weight: 328.43
Associated Items:
Names and Identifiers Canonical SMILES: CCc1cc(CN(CC)c2ccc(F)cc2)cc(=O)n1CC1CC1
Standard InChI: InChI=1S/C20H25FN2O/c1-3-18-11-16(12-20(24)23(18)14-15-5-6-15)13-22(4-2)19-9-7-17(21)8-10-19/h7-12,15H,3-6,13-14H2,1-2H3
Standard InChI Key: LJGLVFDLKSUWDD-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: 328.43Molecular Weight (Monoisotopic): 328.1951AlogP: 3.99#Rotatable Bonds: 7Polar Surface Area: 25.24Molecular Species: NEUTRALHBA: 3HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 3.86CX LogP: 3.81CX LogD: 3.81Aromatic Rings: 2Heavy Atoms: 24QED Weighted: 0.77Np Likeness Score: -1.54
References 1. Yukawa T, Yamashita T, Imaeda T, Kakei H, Hashizume S, Nakamura M, Daini M, Okabe A, Nakashima K, Harada A, Narita N, Bettini E, Ugolini A, Corsi M, Hasui T.. (2023) Design and synthesis of 6-methylpyridin-2-one derivatives as novel and potent GluN2A positive allosteric modulators for the treatment of cognitive impairment., 79 [PMID:36640594 ] [10.1016/j.bmc.2022.117150 ]