Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2218)
Drug Name
Laxoberon
Synonyms
Laxidogol; Laxoberal; Laxoberon; Prepopik (TN); LA 391; LA-391; LS-105107; NCGC00182711-01; Natrii picosulfas; Natrii picosulfas [INN-Latin]; Natriumpicosulfat; Natriumpikosulfat; Neopax; 10040-45-6; 2-Picolylidenebis(p-phenyl sodium sulfate); 4,4'-(2-Picolylidene)bis(phenylsulfuric acid) disodium salt; 4,4'-(2-Pyridinylmethylene)bisphenol bis(hydrogen sulfate) (ester) disodium salt; 4,4'-(2-Pyridylmethylene)diphenol bis(hydrogen sulfate) disodium salt; 4,4'-(2-Pyridylmethylene)diphenolbis(hydrogen sulfate) (ester) disodium salt; 4,4'-(2-picolylidene)bisphenylsulfuric acid; 4,4'-(picoliliden)-bis-phenylsulphate; AK546436; AS-15785; Anhydrous Sodium Picosulfate; BCP11522; C-36558; C13072; C18H13NNa2O8S2; CAS-10040-45-6; CHEBI:32147; CHEMBL1697768; CS-2645; DA 1773; DA-1773; DSSTox_CID_28589; DSSTox_GSID_48663; DSSTox_RID_82860; DTXSID7048663; Disodium 4,4'-(2-pyridylmethylene)-di(phenyl sulphate);Disodium 4,4'-(2-pyridylmethylene)-di(phenyl sulphate);Sodium picosulfate; Disodium 4,4'-disulfoxydiphenyl-(2-pyridyl)methane; EINECS 233-120-9; Evacuol; Evanol; FT-0673898; GOZDTZWAMGHLDY-UHFFFAOYSA-L; Guttalax; Guttalax-Fher; HMS3652K17; HY-B0544; KS-00000H2M; Phenol, 4,4'-(2-pyridylmethylene)bis-, bis(hydrogen sulfate), disodium salt; Pico-Salax; Picolax; Picoprep; Picosulfate de sodium; Picosulfate de sodium [INN-French]; Picosulfate sodium; Picosulfate sodium salt; Picosulfato sodico; Picosulfato sodico [INN-Spanish]; Picosulfol; Q-201722; Q410265; Q783; Rapilax; S0936; SCHEMBL346436; SW219183-1; Sodium Picosulfate [INN:BAN:JAN]; Sodium picosulfate hydrate; Sodium picosulphate; Tox21_113026; UNII-VW106606Y8; VW106606Y8; disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate; phenol, 4,4'-(2-pyridinylmethylene)bis-, 1,1'-bis(hydrogen sulfate), sodium salt (1:2); s4020; sodium (pyridin-2-ylmethylene)bis(4,1-phenylene) bis(sulfate); sodium picosulfate
Indication Irritable bowel syndrome [ICD11: DD91] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 481.4 Topological Polar Surface Area 163
Heavy Atom Count 31 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
68654
PubChem SID
585136 ; 8192250 ; 14810109 ; 43125192 ; 50006101 ; 57316986 ; 75609776 ; 104342700 ; 117374714 ; 124976358 ; 126671820 ; 135027201 ; 137118936 ; 144206577 ; 164178032 ; 164232631 ; 188889269 ; 198975000 ; 210279710 ; 210282033 ; 223441830 ; 223652695 ; 224488080 ; 226681202 ; 252356710 ; 252543057
ChEBI ID
ChEBI:30769
CAS Number
77-92-9
TTD Drug ID
D00TGR
Formula
C18H13NNa2O8S2
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
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
4,4'-dihydroxydiphenyl-(2-pyridyl)methane DM002592
69046
Unclear 1 [3] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001432 Laxoberon 4,4'-dihydroxydiphenyl-(2-pyridyl)methane Unclear Unclear [3], [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Arylsulfate sulfotransferase (astA) DME1674 Eubacterium rectale
Q9AIW0_9FIRM
2.8.2.22
[2]
References
1 Oral sodium phosphate (Fleet) is a superior colonoscopy preparation to Picopre (sodium picosulfate-based preparation). Dis Colon Rectum. 2006 May;49(5):616-20.
2 The role of intestinal bacteria in the transformation of sodium picosulfate. Jpn J Pharmacol. 1992 May;59(1):1-5.
3 Sodium picosulfate/magnesium citrate: a review of its use as a colorectal cleanser Drugs. 2009;69(1):123-36. doi: 10.2165/00003495-200969010-00009.
4 Absence of excretion of the active moiety of bisacodyl and sodium picosulfate into human breast milk: an open-label, parallel-group, multiple-dose study in healthy lactating women Drug Metab Pharmacokinet. 2011;26(5):458-64. doi: 10.2133/dmpk.dmpk-11-rg-007.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.