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

General Information of Drug (ID: DR1534)
Drug Name
Taurine
Synonyms
Taurina [Spanish]; Taurine [INN]; Taurinum [Latin]; Aminoethanesulfonic acid; Ethanesulfonic acid, 2-amino-; L-Taurine; aminoethylsulfonic acid; beta-Aminoethylsulfonic acid; taufon; tauphon; taurine; .beta.-Aminoethylsulfonic acid; 1-Aminoethane-2-sulfonic acid; 107-35-7; 1EQV5MLY3D; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; 2-aminoethane-1-sulfonic acid; 2-aminoethanesulfonic acid; AI3-18307; CCRIS 4721; CHEBI:15891; EINECS 203-483-8; FEMA No. 3813; MFCD00008197; NCI-C60606; NSC 32428; NSC32428; O-Due; UNII-1EQV5MLY3D
Indication Congestive heart failure [ICD11: BD10] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 125.15 Topological Polar Surface Area 88.8
Heavy Atom Count 7 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
1123
PubChem SID
3544 ; 90924 ; 608224 ; 820951 ; 821198 ; 841390 ; 855439 ; 3136598 ; 4656526 ; 7847115 ; 7890685 ; 7980729 ; 8027993 ; 8138146 ; 8145091 ; 8150985 ; 10503452 ; 11111855 ; 11113407 ; 11407207 ; 15146560 ; 17389723 ; 17405690 ; 24278721 ; 24439473 ; 24888584 ; 24888585 ; 24900217 ; 24900552 ; 24901890 ; 26751645 ; 37402452 ; 46500351 ; 46506189 ; 47515475 ; 48414494 ; 48423589 ; 48425250 ; 49830281 ; 49854645 ; 50104337 ; 50104338 ; 53778240 ; 53789289 ; 56320736 ; 56320737 ; 57320751 ; 57653091 ; 80818340 ; 81059398
ChEBI ID
CHEBI:15891
CAS Number
107-35-7
TTD Drug ID
D0C6IE
Formula
C2H7NO3S
Canonical SMILES
C(CS(=O)(=O)O)N
InChI
1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKey
XOAAWQZATWQOTB-UHFFFAOYSA-N
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
5-glutamyl-taurine DM004887
68759
Unclear 1 [4]
Taurocholate DM004888 N. A. Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005267 Taurine 5-glutamyl-taurine Unclear TGM6 [4]
MR005268 Taurine Taurocholate Unclear BAAT [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Bile acid-CoA thioesterase (BAAT) DME0200 Homo sapiens
BAAT_HUMAN
2.3.1.65
[2]
Transglutaminase Y (TGM6) DME0164 Homo sapiens
TGM3L_HUMAN
2.3.2.13
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Bile acid-CoA thioesterase (BAAT) DME0200 Km = 1 microM
BAAT_HUMAN
[2]
References
1 ClinicalTrials.gov (NCT02344719) Effect of Taurine on Portal Hemodynamics in Patients With Advanced Liver Cirrhosis.
2 Bile acid coenzyme A: amino acid N-acyltransferase in the amino acid conjugation of bile acids. Methods Enzymol. 2005;400:374-94.
3 KEGG: new perspectives on genomes, pathways, diseases and drugs. Nucleic Acids Res. 2017 Jan 4;45(D1):D353-D361. (pathway:hsa00430)
4 DrugBank(Pharmacology-Metabolism):Taurine

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