Z944   Click here for help

GtoPdb Ligand ID: 7718

Synonyms: PRAX-944 | PRAX944 | Z 944 | Z-944
PDB Ligand
Compound class: Synthetic organic
Comment: PRAX-944 (Z-944) is a T-type calcium channel blocker/inhibitor [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 61.44
Molecular weight 383.18
XLogP 3.27
No. Lipinski's rules broken 0
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Canonical SMILES O=C(NC(C)(C)C)CN1CCC(CC1)CNC(=O)c1cc(F)cc(c1)Cl
Isomeric SMILES O=C(NC(C)(C)C)CN1CCC(CC1)CNC(=O)c1cc(F)cc(c1)Cl
InChI InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Cav3.1 Hs Channel blocker Pore blocker 7.3 pIC50 - 3
pIC50 7.3 voltage-dependent [3]
Voltage: -80.0 mV
Cav3.3 Hs Channel blocker Pore blocker 7.0 pIC50 - 3
pIC50 7.0 voltage-dependent [3]
Voltage: -75.0 mV
Cav3.2 Hs Channel blocker Pore blocker 6.8 pIC50 - 3
pIC50 6.8 voltage-dependent [3]
Voltage: -75.0 mV