Rp-8-Br-cGMPS   Click here for help

GtoPdb Ligand ID: 10620

Compound class: Synthetic organic
Comment: cGMP blocker. Sodium salt is used in assays (compound information is available here: https://pubchem.ncbi.nlm.nih.gov/compound/136240563).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 202.47
Molecular weight 437.93
XLogP 1.53
No. Lipinski's rules broken 0
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Canonical SMILES O[C@@H]1[C@@H]2OP(=S)([O-])OC[C@H]2O[C@H]1n1c(Br)nc2c1[nH]c(N)nc2=O
Isomeric SMILES O[C@@H]1[C@@H]2OP(=S)([O-])OC[C@H]2O[C@H]1n1c(Br)nc2c1[nH]c(N)nc2=O
InChI InChI=1S/C10H11BrN5O6PS/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(21-8)1-20-23(19,24)22-5/h2,4-5,8,17H,1H2,(H,19,24)(H3,12,14,15,18)/p-1/t2-,4-,5-,8-,23?/m1/s1
Bioactivity Comments
Competitively inhibits relaxation elicited by 8-Br-cGMP in isolated rabbit aorta contracted by phenylephrine at 30 µM.
Selectivity at ligand targets
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclic GMP N/A Inhibitor Inhibition - - -