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4-Methyl-indeno[1,2-b]pyridin-5-one ID: ALA181614
Chembl Id: CHEMBL181614
Cas Number: 58787-04-5
PubChem CID: 72584
Max Phase: Preclinical
Molecular Formula: C13H9NO
Molecular Weight: 195.22
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Synonyms: Onychine | Onychine|58787-04-5|Onychin|4-Methyl-5H-indeno[1,2-b]pyridin-5-one|1-Methyl-4-azafluorenone|4-methylindeno[1,2-b]pyridin-5-one|1-methyl-4-azafluoren-9-one|CHEMBL181614|SCHEMBL8548579|DTXSID80207515|4-Methyl-indeno[1,2-b]pyridin-5-one|4-Methyl-5H-indeno[3,2-b]pyridin-5-one|4-methyl-5H-indeno[3,2-b]-pyridin-5-one|4-Methyl-5H-indeno[1,2-b]pyridin-5-one #|5H-Indeno(1,2-b)pyridin-5-one, 4-methyl-|InChI=1/C13H9NO/c1-8-6-7-14-12-9-4-2-3-5-10(9)13(15)11(8)12/h2-7H,1H
Canonical SMILES: Cc1ccnc2c1C(=O)c1ccccc1-2
Standard InChI: InChI=1S/C13H9NO/c1-8-6-7-14-12-9-4-2-3-5-10(9)13(15)11(8)12/h2-7H,1H3
Standard InChI Key: LTVBTVOAUQJJEV-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: YesOral: 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: 195.22Molecular Weight (Monoisotopic): 195.0684AlogP: 2.60#Rotatable Bonds: ┄Polar Surface Area: 29.96Molecular Species: NEUTRALHBA: 2HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 2HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 3.76CX LogP: 2.79CX LogD: 2.79Aromatic Rings: 2Heavy Atoms: 15QED Weighted: 0.55Np Likeness Score: 0.49
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 ] 2. Konoshima T, Kozuka M, Koyama J, Okatani T, Tagahara K, Tokuda H.. (1989) Studies on inhibitors of skin tumor promotion, VI. Inhibitory effects of quinones on Epstein-Barr virus activation., 52 (5): [PMID:2558164 ] [10.1021/np50065a012 ] 3. Hufford CD, Liu S, Clark AM, Oguntimein BO.. (1987) Anticandidal activity of eupolauridine and onychine, alkaloids from Cleistopholis patens., 50 (5): [PMID:3325614 ] [10.1021/np50053a037 ] 4. Kraus GA, Kempema A.. (2010) Synthesis of azafluorenone antimicrobial agents., 73 (11): [PMID:20964320 ] [10.1021/np100536a ]