2-(1H-indazol-5-ylamino)-N-(6-methoxypyridin-3-yl)thiazole-5-carboxamide

ID: ALA4435597

Chembl Id: CHEMBL4435597

PubChem CID: 155511402

Max Phase: Preclinical

Molecular Formula: C17H14N6O2S

Molecular Weight: 366.41

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  COc1ccc(NC(=O)c2cnc(Nc3ccc4[nH]ncc4c3)s2)cn1

Standard InChI:  InChI=1S/C17H14N6O2S/c1-25-15-5-3-12(8-18-15)21-16(24)14-9-19-17(26-14)22-11-2-4-13-10(6-11)7-20-23-13/h2-9H,1H3,(H,19,22)(H,20,23)(H,21,24)

Standard InChI Key:  YSRZKNYHSIYXQN-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA4435597

    ---

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: 366.41Molecular Weight (Monoisotopic): 366.0899AlogP: 3.42#Rotatable Bonds: 5
Polar Surface Area: 104.82Molecular Species: NEUTRALHBA: 7HBD: 3
#RO5 Violations: HBA (Lipinski): 8HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 11.79CX Basic pKa: 2.39CX LogP: 2.52CX LogD: 2.52
Aromatic Rings: 4Heavy Atoms: 26QED Weighted: 0.50Np Likeness Score: -2.47

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