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
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
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
InChI Key UDHVRDAZIAGHFG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[5-(2-fluorophenyl)-1-[3-(3-methoxypropoxy)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
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