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]
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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

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]

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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.