N-butyl-6-(4-methoxyphenyl)-N-methyl-5-phenyl-hept-5-enamide

ID: ALA4632366

Chembl Id: CHEMBL4632366

PubChem CID: 156010119

Max Phase: Preclinical

Molecular Formula: C25H33NO2

Molecular Weight: 379.54

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  CCCCN(C)C(=O)CCC/C(=C(/C)c1ccc(OC)cc1)c1ccccc1

Standard InChI:  InChI=1S/C25H33NO2/c1-5-6-19-26(3)25(27)14-10-13-24(22-11-8-7-9-12-22)20(2)21-15-17-23(28-4)18-16-21/h7-9,11-12,15-18H,5-6,10,13-14,19H2,1-4H3/b24-20+

Standard InChI Key:  ZOQGYZWUAQINOT-HIXSDJFHSA-N

Alternative Forms

  1. Parent:

    ALA4632366

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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: 379.54Molecular Weight (Monoisotopic): 379.2511AlogP: 6.05#Rotatable Bonds: 10
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: 5.73CX LogD: 5.73
Aromatic Rings: 2Heavy Atoms: 28QED Weighted: 0.47Np Likeness Score: -0.63

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