AR-C67085   Click here for help

GtoPdb Ligand ID: 1756

Synonyms: AR-C67085MX | ARC-67085 | ARC67085 | PSB-0413
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 11
Topological polar surface area 324.63
Molecular weight 646.96
XLogP -2.92
No. Lipinski's rules broken 3
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Canonical SMILES CCCSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O
Isomeric SMILES CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O
InChI InChI=1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1
1. Balogh J, Wihlborg AK, Isackson H, Joshi BV, Jacobson KA, Arner A, Erlinge D. (2005)
Phospholipase C and cAMP-dependent positive inotropic effects of ATP in mouse cardiomyocytes via P2Y11-like receptors.
J Mol Cell Cardiol, 39 (2): 223-30. [PMID:15893764]
2. Communi D, Robaye B, Boeynaems JM. (1999)
Pharmacological characterization of the human P2Y11 receptor.
Br J Pharmacol, 128 (6): 1199-206. [PMID:10578132]
3. Kennedy C, Chootip K, Mitchell C, Syed NI, Tengah A. (2013)
P2X and P2Y nucleotide receptors as targets in cardiovascular disease.
Future Med Chem, 5 (4): 431-49. [PMID:23495690]