Details of the Drug

General Information of Drug (ID: DMF9RB4)

Drug Name

Procysteine

Synonyms

Procysteine; 19771-63-2; (R)-2-Oxothiazolidine-4-carboxylic acid; (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid; L-2-Oxothiazolidine-4-carboxylic acid; L-2-Oxothiazolidine-4-carboxylate; 4-Thiazolidinecarboxylic acid, 2-oxo-, (4R)-; CCRIS 7672; Oxothiazolidine carboxylate, L-; UNII-X7063P804E; 2-Oxothiazolidine-4-carboxylate, L-; L-2-Oxo-4-thiazolidinecarboxylic acid; BRN 4179169; (R)-2-Oxo-4-thiazolidinecarboxylic acid; (4R)-2-oxo-4-thiazolidinecarboxylic acid; CHEMBL442218; 4-Thiazolidinecarboxylic acid, 2-oxo-, L-

Indication

Disease Entry	ICD 11	Status	REF
Amyotrophic lateral sclerosis	8B60.0	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

147.15

Logarithm of the Partition Coefficient (xlogp)

-0.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C4H5NO3S
IUPAC Name: (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
Canonical SMILES: C1[C@H](NC(=O)S1)C(=O)O
InChI: 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

Cross-matching ID

PubChem CID: 72390
ChEBI ID: CHEBI:125673
CAS Number: 19771-63-2
DrugBank ID: DB12224
TTD ID: D0M0UT
VARIDT ID: DR00913
INTEDE ID: DR1919

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Reactive oxygen species (ROS)	TTULV0X	NOUNIPROTAC	Modulator	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Pyroglutamase (OPLAH)_{Main DME}	DEJ1LMB	OPLA_HUMAN	Substrate	[3]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Methylated-DNA--protein-cysteine methyltransferase (MGMT)	OT40A9WH	MGMT_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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. U.S. National Institutes of Health.
2	Protective effect of procysteine on Acinetobacter pneumonia in hyperoxic conditions. J Antimicrob Chemother. 2013 Oct;68(10):2305-10.
3	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.