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N-hydroxy-8-(3-Methoxyphenyl)octanamide ID: ALA4463058
Chembl Id: CHEMBL4463058
PubChem CID: 155529506
Max Phase: Preclinical
Molecular Formula: C15H23NO3
Molecular Weight: 265.35
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: COc1cccc(CCCCCCCC(=O)NO)c1
Standard InChI: InChI=1S/C15H23NO3/c1-19-14-10-7-9-13(12-14)8-5-3-2-4-6-11-15(17)16-18/h7,9-10,12,18H,2-6,8,11H2,1H3,(H,16,17)
Standard InChI Key: BKJHRYXESIEOKE-UHFFFAOYSA-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
Calculated Properties Molecular Weight: 265.35Molecular Weight (Monoisotopic): 265.1678AlogP: 3.08#Rotatable Bonds: 9Polar Surface Area: 58.56Molecular Species: NEUTRALHBA: 3HBD: 2#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 8.91CX Basic pKa: ┄CX LogP: 3.31CX LogD: 3.30Aromatic Rings: 1Heavy Atoms: 19QED Weighted: 0.41Np Likeness Score: -0.10
References 1. Soares Romeiro LA, da Costa Nunes JL, de Oliveira Miranda C, Simões Heyn Roth Cardoso G, de Oliveira AS, Gandini A, Kobrlova T, Soukup O, Rossi M, Senger J, Jung M, Gervasoni S, Vistoli G, Petralla S, Massenzio F, Monti B, Bolognesi ML.. (2019) Novel Sustainable-by-Design HDAC Inhibitors for the Treatment of Alzheimer's Disease., 10 (4): [PMID:30996816 ] [10.1021/acsmedchemlett.9b00071 ]
