Details of the Drug

General Information of Drug (ID: DMB069L)

Drug Name

PUMAPRAZOLE

Synonyms

BY-841; Pumaprazole; N-[2-(2,3-Dimethylimidazol[1,2-a]pyridin-8-ylaminomethyl)-3-methylphenyl]carbamic acid methyl ester

Indication

Disease Entry	ICD 11	Status	REF
Duodenal ulcer	DA63	Discontinued in Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

338.4

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H22N4O2
IUPAC Name: methyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
Canonical SMILES: CC1=C(C(=CC=C1)NC(=O)OC)CNC2=CC=CN3C2=NC(=C3C)C
InChI: InChI=1S/C19H22N4O2/c1-12-7-5-8-16(22-19(24)25-4)15(12)11-20-17-9-6-10-23-14(3)13(2)21-18(17)23/h5-10,20H,11H2,1-4H3,(H,22,24)
InChIKey: NZQTVUWEPPDOKK-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 800005537)
2	Effects of pumaprazole (BY841), a novel reversible proton pump antagonist, and of omeprazole, on intragastric acidity before and after cure of Heli... Aliment Pharmacol Ther. 1999 Jan;13(1):27-34.