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5-Methyl-2-methylene-2,3-dihydro-1H-inden-1-one ID: ALA3337746
Chembl Id: CHEMBL3337746
PubChem CID: 85804502
Max Phase: Preclinical
Molecular Formula: C11H10O
Molecular Weight: 158.20
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: C=C1Cc2cc(C)ccc2C1=O
Standard InChI: InChI=1S/C11H10O/c1-7-3-4-10-9(5-7)6-8(2)11(10)12/h3-5H,2,6H2,1H3
Standard InChI Key: QRZVXGAVEBRPCU-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
Calculated Properties Molecular Weight: 158.20Molecular Weight (Monoisotopic): 158.0732AlogP: 2.29#Rotatable Bonds: ┄Polar Surface Area: 17.07Molecular Species: ┄HBA: 1HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 1HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 2.80CX LogD: 2.80Aromatic Rings: 1Heavy Atoms: 12QED Weighted: 0.53Np Likeness Score: 0.23
References 1. Altmeyer M, Amtmann E, Heyl C, Marschner A, Scheidig AJ, Klein CD.. (2014) Beta-aminoketones as prodrugs for selective irreversible inhibitors of type-1 methionine aminopeptidases., 24 (22): [PMID:25293447 ] [10.1016/j.bmcl.2014.09.047 ]
