tegoprazan   Click here for help

GtoPdb Ligand ID: 12008

Synonyms: CJ-12420 | CJ12420 | K-CAB®
Approved drug PDB Ligand
tegoprazan is an approved drug (S Korea (2018))
Compound class: Synthetic organic
Comment: Tegoprazan (CJ-12420) is an oral, fast-acting potassium-competitive acid blocker (P-CAB) [1]. It reduces gastric acid secretion by inhibiting the H+/K+ transporter (ATP4A; a.k.a. the gastric proton pump) in the stomach lining.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 67.45
Molecular weight 387.14
XLogP 3.21
No. Lipinski's rules broken 0
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Canonical SMILES Fc1cc(F)c2c(c1)OCC[C@@H]2Oc1cc(cc2c1nc([nH]2)C)C(=O)N(C)C
Isomeric SMILES Cc1nc2c([nH]1)cc(cc2O[C@H]1CCOc2c1c(cc(c2)F)F)C(=O)N(C)C
InChI InChI=1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m0/s1
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
ATP4A Hs Inhibitor Inhibition 6.3 pIC50 - 1
pIC50 6.3 (IC50 5.2x10-7 M) [1]
Description: Inhibition of the H+/K+-ATPase activity of recombinant human enzyme
Ligand mentioned in the following text fields