Details of the Drug

General Information of Drug (ID: DMMEBWR)

Drug Name

Citric acid, magnesium oxide, sodium picosulfate

Synonyms

Prepopik (TN)

Indication

Disease Entry	ICD 11	Status	REF
Crohn disease	DD70	Approved	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

481.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C18H13NNa2O8S2
IUPAC Name: disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate
Canonical SMILES: C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
InChIKey: GOZDTZWAMGHLDY-UHFFFAOYSA-L

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Arylsulfate sulfotransferase (astA)_{Main DME}	DEHYDG9	Q9AIW0_9FIRM	Substrate	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
2	The role of intestinal bacteria in the transformation of sodium picosulfate. Jpn J Pharmacol. 1992 May;59(1):1-5.