2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)thiazole-4-carboxamide

ID: ALA4520736

Chembl Id: CHEMBL4520736

PubChem CID: 155542316

Max Phase: Preclinical

Molecular Formula: C18H15N5O2S

Molecular Weight: 365.42

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  COc1ccc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cc1

Standard InChI:  InChI=1S/C18H15N5O2S/c1-25-12-7-5-11(6-8-12)20-17(24)16-10-26-18(22-16)21-14-3-2-4-15-13(14)9-19-23-15/h2-10H,1H3,(H,19,23)(H,20,24)(H,21,22)

Standard InChI Key:  FNOYPKNOFWTOCK-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA4520736

    ---

Associated Targets(Human)

HDQ-P1 (69 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 365.42Molecular Weight (Monoisotopic): 365.0946AlogP: 4.02#Rotatable Bonds: 5
Polar Surface Area: 91.93Molecular Species: NEUTRALHBA: 6HBD: 3
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 11.37CX Basic pKa: 2.24CX LogP: 3.40CX LogD: 3.40
Aromatic Rings: 4Heavy Atoms: 26QED Weighted: 0.50Np Likeness Score: -2.19

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]

Source