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]
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).
Database Links
ChEMBL Ligand CHEMBL1741085
GtoPdb PubChem SID 336446925
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