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 ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
P2Y1 receptor 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.