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1-(3-fluoro-5-methyl-4-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)phenyl)-N-methylmethanamine ID: ALA5267404
Chembl Id: CHEMBL5267404
Max Phase: Preclinical
Molecular Formula: C19H19FN6
Molecular Weight: 350.40
Associated Items:
Names and Identifiers Canonical SMILES: CNCc1cc(C)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1
Standard InChI: InChI=1S/C19H19FN6/c1-11-4-12(7-21-2)5-15(20)18(11)16-6-14-17(9-22-16)24-25-19(14)13-8-23-26(3)10-13/h4-6,8-10,21H,7H2,1-3H3,(H,24,25)
Standard InChI Key: YZXSIGGVKBZQGJ-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: 350.40Molecular Weight (Monoisotopic): 350.1655AlogP: 3.19#Rotatable Bonds: 4Polar Surface Area: 71.42Molecular Species: BASEHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 8.50CX Basic pKa: 9.21CX LogP: 1.98CX LogD: 1.12Aromatic Rings: 4Heavy Atoms: 26QED Weighted: 0.59Np Likeness Score: -1.43
References 1. Ye Q, Liu K, Ye HF, Pan J, Sokolsky A, Wang A, Zhang K, Hummel JR, Kong L, Behshad E, He X, Conlen P, Stump K, Ye M, Diamond S, Covington M, Yeleswaram S, Atasoylu O, Vechorkin O, Yao W.. (2023) Discovery of Pyrazolopyridine Derivatives as HPK1 Inhibitors., 14 (1.0): [PMID:36655125 ] [10.1021/acsmedchemlett.2c00238 ]
