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

General Information of Drug (ID: DR1919)
Drug Name
BRN-4179169
Synonyms
Procysteine; L-2-Oxothiazolidine-4-carboxylate; Oxothiazolidine carboxylate, L-; (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid; (4R)-2-oxo-4-thiazolidinecarboxylic acid; (R)-(-)-2-Oxothiazolidine-4-carboxylic acid; (R)-2-Oxo-4-thiazolidinecarboxylic acid; (R)-2-Oxothiazolidine-4-carboxylic acid; 19771-63-2; 2-Oxothiazolidine-4-carboxylate, L-; 4-Thiazolidinecarboxylic acid, 2-oxo-, (4R)-; BRN 4179169; CCRIS 7672; CHEMBL442218; L-2-Oxo-4-thiazolidinecarboxylic acid; L-2-Oxothiazolidine-4-carboxylic acid; UNII-X7063P804E
Indication Amyotrophic lateral sclerosis [ICD11: 8B60] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 147.15 Topological Polar Surface Area 91.7
Heavy Atom Count 9 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
72390
ChEBI ID
CHEBI:125673
CAS Number
19771-63-2
TTD Drug ID
D0M0UT
Formula
C4H5NO3S
Canonical SMILES
C1C(NC(=O)S1)C(=O)O
InChI
1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKey
BMLMGCPTLHPWPY-REOHCLBHSA-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
Cysteine DM001531
5862
Unclear 1 [3]
Glutathione DM003449
124886
Unclear 1 [3]
Mercaptopyruvate DM003450
98
Unclear 1 [3]
PYR DM000331
107735
Unclear 1 [3]
Cysteamine DM003761
6058
Unclear 2 [3]
Cysteine sulfate DM006796 N. A. Unclear 2 [3]
Lactate DM003259
91435
Unclear 2 [3]
PYR DM000331
107735
Unclear 2 [3]
Cysteate DM003454
25701
Unclear 3 [3]
Hypotaurine DM003447
107812
Unclear 3 [3]
Lactate DM003259
91435
Unclear 3 [3]
Taurine DM003084
1123
Unclear 4 [3]
⏷ Show the Full List of 12  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007364 BRN-4179169 Cysteine Unclear Unclear [3]
MR007372 BRN-4179169 Mercaptopyruvate Unclear Unclear [3]
MR007375 BRN-4179169 Pyruvate Unclear Unclear [3]
MR007376 BRN-4179169 Glutathione Unclear Unclear [3]
MR007365 Cysteine Cysteamine Unclear Unclear [3]
MR007368 Cysteine Cysteine sulfate Unclear Unclear [3]
MR007373 Mercaptopyruvate Pyruvate Unclear Unclear [3]
MR007366 Cysteamine Hypotaurine Unclear Unclear [3]
MR007369 Cysteine sulfate Hypotaurine Unclear Unclear [3]
MR007370 Cysteine sulfate Cysteate Unclear Unclear [3]
MR007374 Pyruvate Lactate Unclear Unclear [3]
MR007371 Cysteate Taurine Unclear Unclear [3]
MR007367 Hypotaurine Taurine Unclear Unclear [3]
⏷ Show the Full List of 13 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Pyroglutamase (OPLAH) DME0560 Homo sapiens
OPLA_HUMAN
3.5.2.9
[2]
References
1 ClinicalTrials.gov (NCT00002114) A Double-Blind, Randomized Parallel Group Study Comparing Procysteine to Placebo in HIV-Infected Patients Who Are Taking Antiretroviral Nucleosides.
2 Increased expression of the MGMT repair protein mediated by cysteine prodrugs and chemopreventative natural products in human lymphocytes and tumor cell lines. Carcinogenesis. 2007 Feb;28(2):378-89.
3 Non-invasive monitoring of L-2-oxothiazolidine-4-carboxylate metabolism in the rat brain by in vivo 13C magnetic resonance spectroscopy

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