BMS compound 16 [PMID:23368907]

Ligand id: 5808

Name: BMS compound 16 [PMID:23368907]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 72.48
Molecular weight 445.16
XLogP 7.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
P2Y1 receptor Hs Allosteric modulator Negative 6.9 pKi - 1
pKi 6.9 (Ki 1.2x10-7 M) [1]
Description: Inhibition of [3H]2MeSADP binding to P2Y1 receptors expressed in COS-7 cells.