The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
8-(3-Nitro-phenyl)-6-o-tolyl-[1,7]naphthyridine ID: ALA345360
Max Phase: Preclinical
Molecular Formula: C21H15N3O2
Molecular Weight: 341.37
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: Cc1ccccc1-c1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1
Standard InChI: InChI=1S/C21H15N3O2/c1-14-6-2-3-10-18(14)19-13-16-8-5-11-22-20(16)21(23-19)15-7-4-9-17(12-15)24(25)26/h2-13H,1H3
Standard InChI Key: BMEOUAVDMLIXQF-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
Properties Molecular Weight: 341.37Molecular Weight (Monoisotopic): 341.1164AlogP: 5.18#Rotatable Bonds: 3Polar Surface Area: 68.92Molecular Species: NEUTRALHBA: 4HBD: 0#RO5 Violations: 1HBA (Lipinski): 5HBD (Lipinski): 0#RO5 Violations (Lipinski): 1CX Acidic pKa: CX Basic pKa: 1.68CX LogP: 5.43CX LogD: 5.43Aromatic Rings: 4Heavy Atoms: 26QED Weighted: 0.38Np Likeness Score: -1.26
References 1. Hersperger R, Bray-French K, Mazzoni L, Müller T.. (2000) Palladium-catalyzed cross-coupling reactions for the synthesis of 6, 8-disubstituted 1,7-naphthyridines: a novel class of potent and selective phosphodiesterase type 4D inhibitors., 43 (4): [PMID:10691693 ] [10.1021/jm991094u ]
