The store will not work correctly when cookies are disabled.
N,N-diisopropyl-3-(4-methoxyphenyl)-4-phenyl-but-3-enamide
ID: ALA4649359
Chembl Id: CHEMBL4649359
PubChem CID: 156021945
Max Phase: Preclinical
Molecular Formula: C23H29NO2
Molecular Weight: 351.49
Molecule Type: Unknown
Associated Items:
Names and Identifiers
Canonical SMILES: COc1ccc(/C(=C/c2ccccc2)CC(=O)N(C(C)C)C(C)C)cc1
Standard InChI: InChI=1S/C23H29NO2/c1-17(2)24(18(3)4)23(25)16-21(15-19-9-7-6-8-10-19)20-11-13-22(26-5)14-12-20/h6-15,17-18H,16H2,1-5H3/b21-15+
Standard InChI Key: JEHQLOWZTUQURP-RCCKNPSSSA-N
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 |
---|
Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
---|
Calculated Properties
Molecular Weight: 351.49 | Molecular Weight (Monoisotopic): 351.2198 | AlogP: 5.27 | #Rotatable Bonds: 7 |
Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: ┄ |
#RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): 1 |
CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.77 | CX LogD: 4.77 |
Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.64 | Np Likeness Score: -0.49 |
References
1. Imran Ahamad M, Prakash R, John AA, Wani Z, Yadav D, Bawankule DU, Luqman S, Khan F, Singh D, Gupta A.. (2020) Induced osteoblast differentiation by amide derivatives of stilbene: The possible osteogenic agents., 30 (11): [PMID:32247734] [10.1016/j.bmcl.2020.127138] |