Ligand id: 1716

Name: 2-chloroadenosine-5-triphosphate

Abbreviated name: 2-ClATP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 308.56
Molecular weight 540.96
XLogP -4.82
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Hechler B, Vigne P, Léon C, Breittmayer JP, Gachet C, Frelin C. (1998)
ATP derivatives are antagonists of the P2Y1 receptor: similarities to the platelet ADP receptor.
Mol. Pharmacol., 53 (4): 727-33. [PMID:9547364]