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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (S Korea (2018))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10169 tegoprazan
Synonyms Click here for help
CJ-12420 | CJ12420 | K-CAB®
Database Links Click here for help
CAS Registry No. 942195-55-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL4297583
GtoPdb PubChem SID 464244149
PubChem CID 23582846
Search Google for chemical match using the InChIKey CLIQCDHNPDMGSL-HNNXBMFYSA-N
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UniChem Compound Search for chemical match using the InChIKey CLIQCDHNPDMGSL-HNNXBMFYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CLIQCDHNPDMGSL-HNNXBMFYSA-N