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7-Bromo-2-(4-bromo-phenyl)-8-methyl-quinoline-4-carboxylic acid ID: ALA348184
Chembl Id: CHEMBL348184
PubChem CID: 5275532
Max Phase: Preclinical
Molecular Formula: C17H11Br2NO2
Molecular Weight: 421.09
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1c(Br)ccc2c(C(=O)O)cc(-c3ccc(Br)cc3)nc12
Standard InChI: InChI=1S/C17H11Br2NO2/c1-9-14(19)7-6-12-13(17(21)22)8-15(20-16(9)12)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
Standard InChI Key: JTYPFFVADGWNGS-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: 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: 421.09Molecular Weight (Monoisotopic): 418.9157AlogP: 5.43#Rotatable Bonds: 2Polar Surface Area: 50.19Molecular Species: ACIDHBA: 2HBD: 1#RO5 Violations: 1HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): 1CX Acidic pKa: 3.58CX Basic pKa: 0.49CX LogP: 5.87CX LogD: 2.52Aromatic Rings: 3Heavy Atoms: 22QED Weighted: 0.60Np Likeness Score: -0.88
References 1. Yu XY, Hill JM, Yu G, Yang Y, Kluge AF, Keith D, Finn J, Gallant P, Silverman J, Lim A.. (2001) A series of quinoline analogues as potent inhibitors of C. albicans prolyl tRNA synthetase., 11 (4): [PMID:11229766 ] [10.1016/s0960-894x(00)00697-1 ]