PSB-10211

Ligand id: 9539

Name: PSB-10211

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 185.64
Molecular weight 556.01
XLogP 4.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]anilino]-9,10-dioxoanthracene-2-sulfonic acid
Synonyms
compound 63 [PMID: 21207957]
Database Links
ChEMBL Ligand CHEMBL1741085
PubChem CID 53308119
Search Google for chemical match using the InChIKey BLCUJFVIEUPNOP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BLCUJFVIEUPNOP
Search UniChem for chemical match using the InChIKey BLCUJFVIEUPNOP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BLCUJFVIEUPNOP
Comments
PSB-10211 is a potent competitive antagonist of the P2X2 receptor [1].
We show the structure of the parent molecule. The sodium salt may be used experimentally (PubChem CID 53308118).