Details of the Drug

General Information of Drug (ID: DMBKNJT)

Drug Name
LEMINOPRAZOLE
Synonyms Leminon; Leminoprazole; NC-1300-O-3; Rac-2-[2-(N-Isobutyl-N-methylamino)benzylsulfinyl]benzimidazole
Indication
Disease Entry ICD 11 Status REF
Ulcerative colitis DD71 Discontinued in Preregistration [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 341.5
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H23N3OS
IUPAC Name
2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline
Canonical SMILES
CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C19H23N3OS/c1-14(2)12-22(3)18-11-7-4-8-15(18)13-24(23)19-20-16-9-5-6-10-17(16)21-19/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKey
PSIREIZGKQBEEO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65881
CAS Number
104340-86-5
TTD ID
D0QZ4S

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gastric H(+)/K(+) ATPase (Proton pump) TTLOKXP ATP4A_HUMAN ; ATP4B_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000604)
2 Vasoinhibitory effect of leminoprazole, a H+,K(+)-ATPase inhibitor, on rat aortic rings. Gen Pharmacol. 1996 Jan;27(1):117-21.