keverprazan   Click here for help

GtoPdb Ligand ID: 12653

Synonyms: Example 1 [WO2016119505A1] | Keprason®
Compound class: Synthetic organic
Comment: Keverprazan (hydrochloride) is a potassium ion-competitive acid blocker (P-CAB) [3], that was developed to decrease gastric acid production. P-CABs inhibit the gastric H+,K+-ATPase, and are therapeutic alternatives to long-used proton pump inhibitors [4].
P-CABs are an evolving class of drugs, the first of which to enter clinical use was revaprazan in 2007 (S Korea).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 76.25
Molecular weight 432.51
XLogP 1.79
No. Lipinski's rules broken 0
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Canonical SMILES CNCC1=CN(C(=C1)C2=C(C=CC=C2)F)S(=O)(=O)C3=CC(=CC=C3)OCCCOC
Isomeric SMILES CNCC1=CN(C(=C1)C2=C(F)C=CC=C2)S(=O)(=O)C3=CC=CC(OCCCOC)=C3
InChI InChI=1S/C22H25FN2O4S/c1-24-15-17-13-22(20-9-3-4-10-21(20)23)25(16-17)30(26,27)19-8-5-7-18(14-19)29-12-6-11-28-2/h3-5,7-10,13-14,16,24H,6,11-12,15H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Example 1 [WO2016119505A1] | Keprason®
Database Links Click here for help
GtoPdb PubChem SID 483123201
PubChem CID 132164139
Search Google for chemical match using the InChIKey UDHVRDAZIAGHFG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UDHVRDAZIAGHFG
UniChem Compound Search for chemical match using the InChIKey UDHVRDAZIAGHFG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UDHVRDAZIAGHFG-UHFFFAOYSA-N