General Information of Drug (ID: DMSM2KE)

Drug Name
Nitrofurazone
Synonyms
nitrofurazone; Nitrofural; Furacilin; 59-87-0; Furacin; Furacillin; Furacine; Aldomycin; Furaldon; Nifuzon; Actin-N; Furacycline; Furacoccid; Otofuran; Nitrofurazan; Monafuracin; Furaziline; Furacinetten; Babrocid; Nitrozone; Mastofuran; Furazone; Chemofuran; Mammex; Amifur; Alfucin; Furesol; Furazol W; 5-Nitro-2-furaldehyde semicarbazone; Monofuracin; Dermofural; Monafuracis; Furaseptyl; Furatsilin; Nitrofurol; Fuvacillin; Furametral; Biofuracina; Becafurazone; Nifucin; Ibiofural; Hemofuran; Furalone; Furacort; Eldezol; Vadrocid; Vabrocid; Furazyme
Indication
Disease Entry ICD 11 Status REF
Skin burns ME65.0 Approved [1]
Bacterial infection 1A00-1C4Z Discontinued in Phase 3 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 198.14
Topological Polar Surface Area (xlogp) 0.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Absorption
The drug is well absorbed [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 5 hours [4]
Chemical Identifiers
Formula
C6H6N4O4
IUPAC Name
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Canonical SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N
InChI
InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+
InChIKey
IAIWVQXQOWNYOU-FPYGCLRLSA-N
Cross-matching ID
PubChem CID
5447130
ChEBI ID
CHEBI:44368
CAS Number
59-87-0
DrugBank ID
DB00336
TTD ID
D0IE1E
INTEDE ID
DR1168

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial 30S ribosomal RNA (Bact 30S rRNA) TTOVFH2 NOUNIPROTAC Inhibitor [5]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [6]
NADPH-dependent oxidoreductase (nfrA) DE82GV7 NRFA_STAA8 Substrate [7], [8]
Oxygen-insensitive NADPH nitroreductase B (nfsB) DE0QLUZ NFSB_ECOLI Substrate [9]
Oxygen-insensitive NADPH nitroreductase A (nfsA) DEDPI65 NFSA_ECOLI Substrate [10]
NADPH-dependent nitroreductase (nfrA1) DE21PLI NFRA1_BACSU Substrate [11], [12]
Nitroreductase (NTR) DEUW4J0 A0A376H6M5_ENTGA Substrate [13]
Nitroreductase (NTR) DE3U2Y6 A0A377KR04_ENTCA Substrate [13]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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