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9-Methoxy-benzo[g]isoquinoline-5,10-dione ID: ALA368230
Chembl Id: CHEMBL368230
PubChem CID: 13619272
Max Phase: Preclinical
Molecular Formula: C14H9NO3
Molecular Weight: 239.23
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: COc1cccc2c1C(=O)c1cnccc1C2=O
Standard InChI: InChI=1S/C14H9NO3/c1-18-11-4-2-3-9-12(11)14(17)10-7-15-6-5-8(10)13(9)16/h2-7H,1H3
Standard InChI Key: YGNXLFRYNTXWCD-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: 239.23Molecular Weight (Monoisotopic): 239.0582AlogP: 1.87#Rotatable Bonds: 1Polar Surface Area: 56.26Molecular Species: NEUTRALHBA: 4HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 1.99CX LogP: 1.54CX LogD: 1.54Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.65Np Likeness Score: 0.42
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 ]
