MetaADEDB 2.0 @ LMMD
1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione
(LUFAORPFSVMJIW-ZRJUGLEFSA-N)
Structure
SMILES
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2NCCCCCCN1C(=O)C=CC1=O)C
Molecular Formula:
C29H40N2O3
Molecular Weight:
464.639
Log P:
5.3237
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
1
TPSA:
58.64
CAS Number(s):
112648-68-7
Synonym(s)
1.
1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione
2.
U 73122
3.
U-73,122
4.
U-73122
5.
U73122
External Link(s)
MeSHC060229
PubChem Compound104794
BindingDB50446424
ChEBI90690
CHEMBLCHEMBL1256678
IUPHAR/BPS Guide to PHARMACOLOGY5283
Therapeutic Target DatabaseD04POR
ZINC3778899
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Edema16644903CTD
2Pain18987195
20042899
CTD
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