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ID: ALA2436172
Max Phase: Preclinical
Molecular Formula: C18H15NO3
Molecular Weight: 293.32
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2=O
Standard InChI: InChI=1S/C18H15NO3/c1-9(2)19-16-10-5-3-4-6-11(10)18(22)15(16)14-12(20)7-8-13(21)17(14)19/h3-6,9H,7-8H2,1-2H3
Standard InChI Key: TVJRAGSLXXBXQQ-UHFFFAOYSA-N
Associated Targets(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: 293.32Molecular Weight (Monoisotopic): 293.1052AlogP: 3.44#Rotatable Bonds: 1Polar Surface Area: 56.14Molecular Species: NEUTRALHBA: 4HBD: 0#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: CX LogP: 2.19CX LogD: 2.19Aromatic Rings: 2Heavy Atoms: 22QED Weighted: 0.69Np Likeness Score: 0.00
References 1. Rongved P, Kirsch G, Bouaziz Z, Jose J, Le Borgne M.. (2013) Indenoindoles and cyclopentacarbazoles as bioactive compounds: synthesis and biological applications., 69 [PMID:24090918 ] [10.1016/j.ejmech.2013.08.049 ]
