SR9011

Ligand id: 8900

Name: SR9011

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

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
GtoPdb PubChem SID	310264681
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].

Comments

SR9011 is an estrogen receptor β agonist [1].