Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMB6XUY)

Drug Name

CL-205086 Drug Info

Synonyms

Imidazole, 4-nitro-; PubChem7615; VYDWQPKRHOGLPA-UHFFFAOYSA-N; Y8U32AZ5O7; 100214-79-7; 1H-4-Nitroimidazole; 1H-5-Nitroimidazole; 1H-Imidazole, 4-nitro-; 1H-Imidazole, 5-nitro-; 3034-38-6; 4(5)-Nitroimidazole; 4-NITRO-1H-IMIDAZOLE; 4-Nitroimidazole; 4-Nitroimidazole, 97%; 4-Nitroimidazole, 98%; 4-nitro-3H-imidazole; 4-nitro-imidazole; 5(4)-nitroimidazole; 5-Nitro-1H-imidazole; 5-Nitroimidazole; 88054-21-1; ACMC-1AIMC; AI3-60154; CHEBI:64635; EC 221-224-7; EINECS 221-224-7; MFCD00005196; NSC 50359; UNII-Y8U32AZ5O7

Indication

Disease Entry	ICD 11	Status	REF
Intestinal amebiasis	1A36	Investigative	[1]

Cross-matching ID

PubChem CID: 18208
ChEBI ID: CHEBI:64635
CAS Number: CAS 3034-38-6
TTD Drug ID: DMB6XUY
INTEDE Drug ID: DR2214

Molecule-Related Drug Atlas

Molecule Type:

DME

Drug Status:

Clinical Trial Drug(s)

Investigative Drug(s)

Approved Drug(s)

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Drug(s) Metabolized By Oxygen-insensitive NADPH nitroreductase B (nfsB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
AI3-23606	DMHMT49	Trypanosomiasis	1D51-1F53	Phase 1	[2]
2-chloro-5-nitro-N-phenylbenzamide	DMUGQIV	Discovery agent	N.A.	Investigative	[3]
Nitroimidazole	DMMY2S5	Trypanosomiasis	1D51-1F53	Investigative	[2]
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Drug(s) Metabolized By Oxygen-insensitive NADPH nitroreductase A (nfsA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ornidazole	DM6QHDJ	Amoebiasis	1A36	Approved	[4]
Nitrazepam	DMEGIQ6	Epilepsy	8A60-8A68	Approved	[4]
AI3-23606	DMHMT49	Trypanosomiasis	1D51-1F53	Phase 1	[2]
2-chloro-5-nitro-N-phenylbenzamide	DMUGQIV	Discovery agent	N.A.	Investigative	[3]
Nitroimidazole	DMMY2S5	Trypanosomiasis	1D51-1F53	Investigative	[2]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Oxygen-insensitive NADPH nitroreductase A (nfsA)	DEX5D46	NFSA_SALTY	Substrate	[2]
Oxygen-insensitive NADPH nitroreductase B (nfsB)	DEOWDK1	NFSB_SALTY	Substrate	[2]

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References

1	Nitroimidazole-containing compounds and their antibacterial and antitubercular activities. Eur J Med Chem. 2019 Oct 1;179:376-388.
2	Delamanid is not metabolized by Salmonella or human nitroreductases: a possible mechanism for the lack of mutagenicity. Regul Toxicol Pharmacol. 2017 Mar;84:1-8.
3	Effects of bacterial and presystemic nitroreductase metabolism of 2-chloro-5-nitro-N-phenylbenzamide on its mutagenicity and bioavailability. Chem Biol Interact. 2012 Apr 15;197(1):16-22.
4	Identification and characterization of SnrA, an inducible oxygen-insensitive nitroreductase in Salmonella enterica serovar Typhimurium TA1535. Mutat Res. 2002 Oct 31;508(1-2):59-70.