2-(1H-indazol-5-ylamino)-N-(benzo[d][1,3]dioxol-5-yl)thiazole-5-carboxamide

ID: ALA4469759

Chembl Id: CHEMBL4469759

PubChem CID: 155533570

Max Phase: Preclinical

Molecular Formula: C18H13N5O3S

Molecular Weight: 379.40

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  O=C(Nc1ccc2c(c1)OCO2)c1cnc(Nc2ccc3[nH]ncc3c2)s1

Standard InChI:  InChI=1S/C18H13N5O3S/c24-17(21-12-2-4-14-15(6-12)26-9-25-14)16-8-19-18(27-16)22-11-1-3-13-10(5-11)7-20-23-13/h1-8H,9H2,(H,19,22)(H,20,23)(H,21,24)

Standard InChI Key:  JURYXARAJCYLSX-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA4469759

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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: 379.40Molecular Weight (Monoisotopic): 379.0739AlogP: 3.74#Rotatable Bonds: 4
Polar Surface Area: 101.16Molecular Species: NEUTRALHBA: 7HBD: 3
#RO5 Violations: HBA (Lipinski): 8HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 11.79CX Basic pKa: 2.13CX LogP: 2.93CX LogD: 2.93
Aromatic Rings: 4Heavy Atoms: 27QED Weighted: 0.50Np Likeness Score: -1.93

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