SR9011

Ligand id: 8900

Name: SR9011

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 106.96
Molecular weight 478.18
XLogP 5.5
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]-N-pentylpyrrolidine-1-carboxamide
Database Links
BindingDB Ligand 50366239
ChEMBL Ligand CHEMBL1961797
PubChem CID 57394021
Search Google for chemical match using the InChIKey PPUYOYQTTWJTIU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PPUYOYQTTWJTIU
Search UniChem for chemical match using the InChIKey PPUYOYQTTWJTIU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PPUYOYQTTWJTIU
Comments
SR9011 is an estrogen receptor β agonist [1].