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
Database Links
BindingDB Ligand 140009
CAS Registry No. 1044535-52-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL3137304
PubChem CID 24873449
Search Google for chemical match using the InChIKey QJJBNCHSWFGXML-KEKPKEOLSA-N
Search Google for chemicals with the same backbone QJJBNCHSWFGXML
Search PubMed clinical trials dagrocorat
Search PubMed titles dagrocorat
Search PubMed titles/abstracts dagrocorat
Search UniChem for chemical match using the InChIKey QJJBNCHSWFGXML-KEKPKEOLSA-N
Search UniChem for chemicals with the same backbone QJJBNCHSWFGXML
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.