dagrocorat

Ligand id: 9650

Name: dagrocorat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 62.22
Molecular weight 494.22
XLogP 10.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug fosdagrocorat
IUPAC Name
(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide
International Nonproprietary Names
INN number INN
9842 dagrocorat
Synonyms
PF-00251802
Comments
Dagrocorat (PF-00251802) is the active metabolite of prodrug fosdagrocorat. See the ligand page for the prodrug for further details of its development and potential clinical utility.
Database Links
BindingDB Ligand 140009
CAS Registry No. 1044535-52-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL3137304
GtoPdb PubChem SID 340590280
PubChem CID 24873449
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