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(E)-1-(Furan-2-yl)-5-phenylpent-2-en-1-one
ID: ALA4780703
Chembl Id: CHEMBL4780703
PubChem CID: 162662933
Max Phase: Preclinical
Molecular Formula: C15H14O2
Molecular Weight: 226.28
Molecule Type: Unknown
Associated Items:
Names and Identifiers
Canonical SMILES: O=C(/C=C/CCc1ccccc1)c1ccco1
Standard InChI: InChI=1S/C15H14O2/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+
Standard InChI Key: YYNROFKBXGFLLA-BJMVGYQFSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: No |
Drug Indications
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Calculated Properties
Molecular Weight: 226.28 | Molecular Weight (Monoisotopic): 226.0994 | AlogP: 3.65 | #Rotatable Bonds: 5 |
Polar Surface Area: 30.21 | Molecular Species: NEUTRAL | HBA: 2 | HBD: ┄ |
#RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.76 | CX LogD: 3.76 |
Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.58 | Np Likeness Score: 0.07 |
References
1. Wang C,Zhang YF,Guo S,Zhao Q,Zeng Y,Xie Z,Xie X,Lu B,Hu Y. (2021) GPR52 Antagonist Reduces Huntingtin Levels and Ameliorates Huntington's Disease-Related Phenotypes., 64 (2.0): [PMID:33185430] [10.1021/acs.jmedchem.0c01133] |