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

Alternative Forms

  1. Parent:

    ALA4649359

    ---

Associated Targets(non-human)

Esr2 Estrogen receptor beta (51 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 351.49Molecular Weight (Monoisotopic): 351.2198AlogP: 5.27#Rotatable Bonds: 7
Polar Surface Area: 29.54Molecular Species: NEUTRALHBA: 2HBD:
#RO5 Violations: 1HBA (Lipinski): 3HBD (Lipinski): #RO5 Violations (Lipinski): 1
CX Acidic pKa: CX Basic pKa: CX LogP: 4.77CX LogD: 4.77
Aromatic Rings: 2Heavy Atoms: 26QED Weighted: 0.64Np 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]

Source