AMP-PNP   

GtoPdb Ligand ID: 2456

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 8
Rotatable bonds 8
Topological polar surface area 311.36
Molecular weight 506.01
XLogP -5.73
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES OC1C(COP(=O)(OP(=O)(NP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N
Isomeric SMILES O[C@@H]1[C@@H](COP(=O)(OP(=O)(NP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChI Key PVKSNHVPLWYQGJ-KQYNXXCUSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPM4 Hs Gating inhibitor Antagonist 4.7 pIC50 - 1
pIC50 4.7 [1]
Voltage: 100.0 mV
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference