MetaADEDB 2.0 @ LMMD
methyl 2-cyano-3,12-dioxoolean-1,9-dien-28-oate
(WPTTVJLTNAWYAO-KPOXMGGZSA-N)
Structure
SMILES
N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)OC)C
Type(s)
Investigational
Molecular Formula:
C32H43NO4
Molecular Weight:
505.688
Log P:
6.3790
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
0
TPSA:
84.23
CAS Number(s):
218600-53-4
Synonym(s)
1.
methyl 2-cyano-3,12-dioxoolean-1,9-dien-28-oate
2.
2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid methyl ester
3.
CDDO methyl ester
4.
CDDO-Me
5.
bardoxolone methyl
External Link(s)
MeSHC445068
PubChem Compound400769
BindingDB217379
CHEMBLCHEMBL1762621
DrugBankDB05983
IUPHAR/BPS Guide to PHARMACOLOGY3443
KEGGdr:D09585
Therapeutic Target DatabaseD03WYU
ZINC3982151
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Acute kidney injury24530882CTD
2Bone Marrow Diseases27633142CTD
3Kidney Diseases21361338CTD
4Leukopenia27633142CTD
5Lung Neoplasms17363558
21361338		CTD
6Necrosis24530882CTD
7Reperfusion Injury21289052CTD
8Weight Gain27417254CTD
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