revaprazan   Click here for help

GtoPdb Ligand ID: 12007

Synonyms: Revanex® | YH-1885 | YH1885
Approved drug
revaprazan is an approved drug (S Korea (2007))
Compound class: Synthetic organic
Comment: Revaprazan (YH-1885) is a K+-competitive acid blocker (P-CAB)/proton pump inhibitor [1-2]. First in human data demonstrating the on-target effect of revaprazan were reported in 2010 [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 41.05
Molecular weight 362.19
XLogP 5.51
No. Lipinski's rules broken 1

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)Nc1nc(c(c(n1)C)C)N1CCc2c(C1C)cccc2
Isomeric SMILES CC1c2ccccc2CCN1c1nc(nc(c1C)C)Nc1ccc(cc1)F
InChI InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)
InChI Key LECZXZOBEZITCL-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (S Korea (2007))
Approved drug? Yes. S Korea (2007)
International Nonproprietary Names Click here for help
INN number INN
8415 revaprazan
Synonyms Click here for help
Revanex® | YH-1885 | YH1885
Database Links Click here for help
CAS Registry No. 199463-33-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL1618279
GtoPdb PubChem SID 464244148
PubChem CID 204104
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