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

General Information of Drug (ID: DMHMT49)

Drug Name
AI3-23606 Drug Info
Synonyms
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
Indication
Disease Entry ICD 11 Status REF
Trypanosomiasis 1D51-1F53 Phase 1 [1]
Cross-matching ID
PubChem CID
11865
ChEBI ID
CHEBI:34890
CAS Number
CAS 609-39-2
TTD Drug ID
DMHMT49
INTEDE Drug ID
DR2213

Molecule-Related Drug Atlas

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 Amoebiasis 1A36 Approved [3]
Tindamax DM3OWT4 Bacterial infection 1A00-1C4Z Approved [3]
Secnidazole DMJ18YL Amoebiasis 1A36 Approved [3]
Benzoquinone DMNBA0G Discovery agent N.A. Investigative [3]
Drug(s) Metabolized By Retro-nitroreductase (rNR)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Benzoquinone DMNBA0G Discovery agent N.A. Investigative [4]
Nitroimidazole DMMY2S5 Trypanosomiasis 1D51-1F53 Investigative [4]
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 [5]
Nitroimidazole DMMY2S5 Trypanosomiasis 1D51-1F53 Investigative [2]
CL-205086 DMB6XUY Intestinal amebiasis 1A36 Investigative [2]
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 [6]
Nitrazepam DMEGIQ6 Epilepsy 8A60-8A68 Approved [6]
2-chloro-5-nitro-N-phenylbenzamide DMUGQIV Discovery agent N.A. Investigative [5]
Nitroimidazole DMMY2S5 Trypanosomiasis 1D51-1F53 Investigative [2]
CL-205086 DMB6XUY Intestinal amebiasis 1A36 Investigative [2]

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]
Nitroreductase (NTR) DEAN5EW NFSB_ENTCL Substrate [3]
Oxygen-insensitive NADPH nitroreductase B (nfsB) DEOWDK1 NFSB_SALTY Substrate [2]
Retro-nitroreductase (rNR) DEKVGPX A0A0H3CM55_ENTCC Substrate [4]

References

1 The toxicity of nitrofuran compounds on melanoma and neuroblastoma cells is enhanced by Olaparib and ameliorated by melanin pigment. DNA Repair (Amst). 2013 Nov;12(11):1000-6.
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 Overexpression, isotopic labeling, and spectral characterization of Enterobacter cloacae nitroreductase. Protein Expr Purif. 1998 Jun;13(1):53-60.
4 Retro-nitroreductase, a putative evolutionary precursor to Enterobacter cloacae strain 96-3 nitroreductase. Antioxid Redox Signal. 2001 Oct;3(5):747-55.
5 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.
6 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.