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N-(benzo[d]thiazol-2-yl)-7-chloro-2-hydroxy-6-methylquinoline-4-carboxamide ID: ALA5286403
Chembl Id: CHEMBL5286403
Max Phase: Preclinical
Molecular Formula: C18H12ClN3O2S
Molecular Weight: 369.83
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cc2c(C(=O)Nc3nc4ccccc4s3)cc(O)nc2cc1Cl
Standard InChI: InChI=1S/C18H12ClN3O2S/c1-9-6-10-11(7-16(23)20-14(10)8-12(9)19)17(24)22-18-21-13-4-2-3-5-15(13)25-18/h2-8H,1H3,(H,20,23)(H,21,22,24)
Standard InChI Key: GWEYAKFNJVARCT-UHFFFAOYSA-N
Associated Targets(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: 369.83Molecular Weight (Monoisotopic): 369.0339AlogP: 4.76#Rotatable Bonds: 2Polar Surface Area: 75.11Molecular Species: NEUTRALHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 10.41CX Basic pKa: ┄CX LogP: 5.46CX LogD: 5.46Aromatic Rings: 4Heavy Atoms: 25QED Weighted: 0.53Np Likeness Score: -2.12
References 1. Van de Walle T, Cools L, Mangelinckx S, D'hooghe M.. (2021) Recent contributions of quinolines to antimalarial and anticancer drug discovery research., 226 [PMID:34655985 ] [10.1016/j.ejmech.2021.113865 ]