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

AI3-23606 Drug Info

AMOT0097; FUBFWTUFPGFHOJ-UHFFFAOYSA-N; Furan, 2-nitro-; Furan, nitro-; LS-70264; Nitrofuran; Nitrofuran (VAN); Q-103253; Q27116311; TC-155289; TRA0000166; ZINC1689931; 17EZI4D981; 2-NITROFURAN; 2-Nitrofuran, 97%; 2-Nitrofurane; 27194-24-7; 5-17-01-00296 (Beilstein Handbook Reference); 5-Nitrofuran; 609-39-2; 9109AB; AI3-23606; AKOS015900364; AM20100483; ANW-66544; BCP23236; BRN 0112523; C-51401; C14414; CHEBI:34890; CTK1A5052; DB-002205; FCH1116845; FT-0632538; H118; NSC 59983; NSC-59983; NSC59983; SCHEMBL30623; UNII-17EZI4D981

Cross-matching ID

PubChem CID

11865

ChEBI ID

CHEBI:34890

CAS Number

CAS 609-39-2

TTD Drug ID

DMHMT49

INTEDE Drug ID

DR2213

General Information of Drug (ID: DMHMT49)

Molecule-Related Drug Atlas

Molecule Type:

DME

Drug Status:

Approved Drug(s)

Investigative Drug(s)

Download the Complete Related Drug List

Drug(s) Metabolized By Nitroreductase (NTR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Metronidazole	DMTIVEN	Abscess		Approved	[2]
Tindamax	DM3OWT4	Bacterial infection	1A00-1C4Z	Approved	[2]
Secnidazole	DMJ18YL	Amoebiasis	1A36	Approved	[2]
BENZOQUINONE	DMNBA0G	Discovery agent	N.A.	Investigative	[2]
------------------------------------------------------------------------------------

Drug(s) Metabolized By Retro-nitroreductase (rNR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BENZOQUINONE	DMNBA0G	Discovery agent	N.A.	Investigative	[3]
Nitroimidazole	DMMY2S5	Trypanosomiasis	1D51-1F53	Investigative	[3]
------------------------------------------------------------------------------------

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
2-chloro-5-nitro-N-phenylbenzamide	DMUGQIV	Discovery agent	N.A.	Investigative	[4]
Nitroimidazole	DMMY2S5	Trypanosomiasis	1D51-1F53	Investigative	[1]
CL-205086	DMB6XUY	N. A.	N. A.	Investigative	[1]
------------------------------------------------------------------------------------

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	[5]
Nitrazepam	DMEGIQ6	Epilepsy	8A60-8A68	Approved	[5]
2-chloro-5-nitro-N-phenylbenzamide	DMUGQIV	Discovery agent	N.A.	Investigative	[4]
Nitroimidazole	DMMY2S5	Trypanosomiasis	1D51-1F53	Investigative	[1]
CL-205086	DMB6XUY	N. A.	N. A.	Investigative	[1]
------------------------------------------------------------------------------------

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	[1]
Nitroreductase (NTR)	DEAN5EW	NFSB_ENTCL	Substrate	[2]
Oxygen-insensitive NADPH nitroreductase B (nfsB)	DEOWDK1	NFSB_SALTY	Substrate	[1]
Retro-nitroreductase (rNR)	DEKVGPX	A0A0H3CM55_ENTCC	Substrate	[3]

------------------------------------------------------------------------------------

References

1	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.
2	Overexpression, isotopic labeling, and spectral characterization of Enterobacter cloacae nitroreductase. Protein Expr Purif. 1998 Jun;13(1):53-60.
3	Retro-nitroreductase, a putative evolutionary precursor to Enterobacter cloacae strain 96-3 nitroreductase. Antioxid Redox Signal. 2001 Oct;3(5):747-55.
4	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.
5	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.