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.
6-Methoxy-2-methylene-2,3-dihydro-1H-inden-1-one ID: ALA3337750
Chembl Id: CHEMBL3337750
PubChem CID: 10797325
Max Phase: Preclinical
Molecular Formula: C11H10O2
Molecular Weight: 174.20
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: C=C1Cc2ccc(OC)cc2C1=O
Standard InChI: InChI=1S/C11H10O2/c1-7-5-8-3-4-9(13-2)6-10(8)11(7)12/h3-4,6H,1,5H2,2H3
Standard InChI Key: MPIVMPQINLNFLF-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: 174.20Molecular Weight (Monoisotopic): 174.0681AlogP: 1.99#Rotatable Bonds: 1Polar Surface Area: 26.30Molecular Species: NEUTRALHBA: 2HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 2HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 2.13CX LogD: 2.13Aromatic Rings: 1Heavy Atoms: 13QED Weighted: 0.61Np Likeness Score: 0.54
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 ]
