3',5-diallyl-3-(phenyl(piperidin-1-yl)methyl)-[1,1'-biphenyl]-2,4'-diol

ID: ALA5284335

Max Phase: Preclinical

Molecular Formula: C30H33NO2

Molecular Weight: 439.60

This compound is available for customization.

Associated Items:

Names and Identifiers

Canonical SMILES:  C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c(C(c2ccccc2)N2CCCCC2)c1

Standard InChI:  InChI=1S/C30H33NO2/c1-3-11-22-19-26(24-15-16-28(32)25(21-24)12-4-2)30(33)27(20-22)29(23-13-7-5-8-14-23)31-17-9-6-10-18-31/h3-5,7-8,13-16,19-21,29,32-33H,1-2,6,9-12,17-18H2

Standard InChI Key:  JMICNTHENNBBOX-UHFFFAOYSA-N

Molfile:  

 
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M  END

Alternative Forms

  1. Parent:

    ALA5284335

    ---

Associated Targets(Human)

MGAM Tclin Maltase-glucoamylase (654 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: 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: 439.60Molecular Weight (Monoisotopic): 439.2511AlogP: 6.80#Rotatable Bonds: 8
Polar Surface Area: 43.70Molecular Species: BASEHBA: 3HBD: 2
#RO5 Violations: 1HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski): 1
CX Acidic pKa: 7.93CX Basic pKa: 10.39CX LogP: 6.26CX LogD: 5.84
Aromatic Rings: 3Heavy Atoms: 33QED Weighted: 0.38Np Likeness Score: 0.21

References

1. Chu J, Yang R, Cheng W, Cui L, Pan H, Liu J, Guo Y..  (2022)  Semisynthesis, biological activities, and mechanism studies of Mannich base analogues of magnolol/honokiol as potential α-glucosidase inhibitors.,  75  [PMID:36327695] [10.1016/j.bmc.2022.117070]

Source