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.
ID: ALA4644350
Max Phase: Preclinical
Molecular Formula: C20H18N2O3
Molecular Weight: 334.38
Molecule Type: Unknown
Associated Items:
Representations Canonical SMILES: COc1cc2c(cc1OC)C(=O)/C(=C/c1c[nH]c3ncccc13)CC2
Standard InChI: InChI=1S/C20H18N2O3/c1-24-17-9-12-5-6-13(19(23)16(12)10-18(17)25-2)8-14-11-22-20-15(14)4-3-7-21-20/h3-4,7-11H,5-6H2,1-2H3,(H,21,22)/b13-8+
Standard InChI Key: QSVUCUOCSPHIMU-MDWZMJQESA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 334.38Molecular Weight (Monoisotopic): 334.1317AlogP: 3.79#Rotatable Bonds: 3Polar Surface Area: 64.21Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 3.28CX LogP: 3.27CX LogD: 3.27Aromatic Rings: 3Heavy Atoms: 25QED Weighted: 0.74Np Likeness Score: -0.22
References 1. Qhobosheane MA, Legoabe LJ, Josselin B, Bach S, Ruchaud S, Petzer JP, Beteck RM.. (2020) Synthesis and evaluation of 7-azaindole derivatives bearing benzocycloalkanone motifs as protein kinase inhibitors., 28 (11): [PMID:32284225 ] [10.1016/j.bmc.2020.115468 ]
