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6-Hydroxy-benzo[g]isoquinoline-5,10-dione ID: ALA178759
Chembl Id: CHEMBL178759
PubChem CID: 44389334
Max Phase: Preclinical
Molecular Formula: C13H7NO3
Molecular Weight: 225.20
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C1c2cnccc2C(=O)c2c(O)cccc21
Standard InChI: InChI=1S/C13H7NO3/c15-10-3-1-2-8-11(10)13(17)7-4-5-14-6-9(7)12(8)16/h1-6,15H
Standard InChI Key: NKSCPRHVPZUDNK-UHFFFAOYSA-N
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: 225.20Molecular Weight (Monoisotopic): 225.0426AlogP: 1.56#Rotatable Bonds: ┄Polar Surface Area: 67.26Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 8.22CX Basic pKa: 1.93CX LogP: 2.05CX LogD: 1.99Aromatic Rings: 2Heavy Atoms: 17QED Weighted: 0.63Np Likeness Score: 0.77
References 1. Koyama J, Morita I, Kobayashi N, Osakai T, Usuki Y, Taniguchi M.. (2005) Structure-activity relations of azafluorenone and azaanthraquinone as antimicrobial compounds., 15 (4): [PMID:15686916 ] [10.1016/j.bmcl.2004.12.059 ]
