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.
5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide ID: ALA4862538
Chembl Id: CHEMBL4862538
PubChem CID: 164619960
Max Phase: Preclinical
Molecular Formula: C18H18FN3OS
Molecular Weight: 343.43
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3C)s2)n1
Standard InChI: InChI=1S/C18H18FN3OS/c1-11-8-14(19)4-6-16(11)20-18(23)17-7-5-15(24-17)10-22-13(3)9-12(2)21-22/h4-9H,10H2,1-3H3,(H,20,23)
Standard InChI Key: GOJQVSFVEUKBNH-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 343.43Molecular Weight (Monoisotopic): 343.1155AlogP: 4.31#Rotatable Bonds: 4Polar Surface Area: 46.92Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 3.38CX LogP: 4.25CX LogD: 4.25Aromatic Rings: 3Heavy Atoms: 24QED Weighted: 0.77Np Likeness Score: -3.03
References 1. Li Z, Cai G, Fang F, Li W, Fan M, Lian J, Qiu Y, Xu X, Lv X, Li Y, Zheng R, Wang Y, Li Z, Zhang G, Liu Z, Huang Z, Zhang L.. (2021) Discovery of Novel and Potent N -Methyl-d-aspartate Receptor Positive Allosteric Modulators with Antidepressant-like Activity in Rodent Models., 64 (9.0): [PMID:33934604 ] [10.1021/acs.jmedchem.0c02018 ]