Structure

InChI Key JQLBBYLGWHUHRW-KUBAVDMBSA-N
Smile CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)c1ccccc1O
InChI
InChI=1S/C31H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(35)32-26-27-33-31(36)28-23-21-22-24-29(28)34/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,34H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,35)(H,33,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H42N2O3
Molecular Weight 490.69
AlogP 6.72
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 18.0
Polar Surface Area 78.43
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Nuclear factor NF-kappa-B complex inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Muscular Dystrophy, Duchenne 3 D020388 ClinicalTrials
Diabetes Mellitus, Type 2 1 D003924 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1204317-86-1
ChEMBL CHEMBL3786673
DrugBank DB15010
FDA SRS AF3Z6434KS
PubChem 44626120
SureChEMBL SCHEMBL1823117
ZINC ZINC000117210587