ilaprazole   Click here for help

GtoPdb Ligand ID: 10512

Synonyms: IY-81149 | IY81149 | Noltec®
Approved drug
ilaprazole is an approved drug (South Korea, China)
Compound class: Synthetic organic
Comment: Ilaprazole (IY-81149) is an irreversible proton pump inhibitor (PPI) [2]. It is a prodrug that is converted to an active sulfenamide form that binds to cysteine sulfhydryl groups on the proton pump H+/K+ ATPase of gastric parietal cells, and thereby inhibits gastric acid secretion [5].
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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 5
Topological polar surface area 91.49
Molecular weight 366.12
XLogP 1.13
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)n1cccc1
Isomeric SMILES COc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)n1cccc1
InChI InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (South Korea, China)
International Nonproprietary Names Click here for help
INN number INN
8158 ilaprazole
Synonyms Click here for help
IY-81149 | IY81149 | Noltec®
Database Links Click here for help
CAS Registry No. 172152-36-2 (source: WHO INN record)
DrugBank Ligand DB11964
DrugCentral Ligand 3961
GtoPdb PubChem SID 387065594
PubChem CID 214351
Search Google for chemical match using the InChIKey HRRXCXABAPSOCP-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey HRRXCXABAPSOCP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HRRXCXABAPSOCP-UHFFFAOYSA-N