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2-(1H-indazol-5-ylamino)-N-(4-(methylthio)phenyl)thiazole-5-carboxamide ID: ALA4460377
Chembl Id: CHEMBL4460377
PubChem CID: 155527648
Max Phase: Preclinical
Molecular Formula: C18H15N5OS2
Molecular Weight: 381.49
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CSc1ccc(NC(=O)c2cnc(Nc3ccc4[nH]ncc4c3)s2)cc1
Standard InChI: InChI=1S/C18H15N5OS2/c1-25-14-5-2-12(3-6-14)21-17(24)16-10-19-18(26-16)22-13-4-7-15-11(8-13)9-20-23-15/h2-10H,1H3,(H,19,22)(H,20,23)(H,21,24)
Standard InChI Key: NTQYVQVIPYUHQW-UHFFFAOYSA-N
Associated Targets(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: 381.49Molecular Weight (Monoisotopic): 381.0718AlogP: 4.74#Rotatable Bonds: 5Polar Surface Area: 82.70Molecular Species: NEUTRALHBA: 6HBD: 3#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.79CX Basic pKa: 2.13CX LogP: 3.93CX LogD: 3.93Aromatic Rings: 4Heavy Atoms: 26QED Weighted: 0.44Np Likeness Score: -2.31
References 1. Rabea SM, Baradaran-Heravi A, Balgi AD, Krause A, Hosseini Farahabadi S, Roberge M, Grierson DS.. (2019) 2-Aminothiazole-4-carboxamides Enhance Readthrough of Premature Termination Codons by Aminoglycosides., 10 (5): [PMID:31097990 ] [10.1021/acsmedchemlett.8b00610 ]