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N-(1H-indazol-5-yl)-2-(phenylamino)thiazole-4-carboxamide ID: ALA5284529
Chembl Id: CHEMBL5284529
Max Phase: Preclinical
Molecular Formula: C17H13N5OS
Molecular Weight: 335.39
Associated Items:
Names and Identifiers Canonical SMILES: O=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1
Standard InChI: InChI=1S/C17H13N5OS/c23-16(19-13-6-7-14-11(8-13)9-18-22-14)15-10-24-17(21-15)20-12-4-2-1-3-5-12/h1-10H,(H,18,22)(H,19,23)(H,20,21)
Standard InChI Key: CYVGSDYVNUNREA-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-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: 335.39Molecular Weight (Monoisotopic): 335.0841AlogP: 4.02#Rotatable Bonds: 4Polar Surface Area: 82.70Molecular Species: NEUTRALHBA: 5HBD: 3#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 12.09CX Basic pKa: 1.71CX LogP: 3.56CX LogD: 3.56Aromatic Rings: 4Heavy Atoms: 24QED Weighted: 0.53Np Likeness Score: -2.39
References 1. Lindberg MF, Deau E, Arfwedson J, George N, George P, Alfonso P, Corrionero A, Meijer L.. (2023) Comparative Efficacy and Selectivity of Pharmacological Inhibitors of DYRK and CLK Protein Kinases., 66 (6): [PMID:36876904 ] [10.1021/acs.jmedchem.2c02068 ]
