Details of the Drug

General Information of Drug (ID: DMJ18YL)

Drug Name
Secnidazole
Synonyms
3366-95-8; Secnidazol; Secnidazolum; Flagentyl; Secnidazolum [INN-Latin]; Solosec; RP 14539; Secnidazol [INN-Spanish]; PM 185184;Secnidazole (Flagentyl); SYM-1219; EINECS 222-134-0; seknidazol; MLS000559043; PM-185184; NCGC00095158-01; SMR000149359; RP-14539
Indication
Disease Entry ICD 11 Status REF
Amoebiasis 1A36 Approved [1]
Bacterial vaginosis MF3A Approved [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 185.18
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 1331.6 mgh/L [3]
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 45.4 mg/L [3]
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 4 h [3]
Clearance
The renal clearance of drug is 25 mL/min []
Elimination
Approximately 15% of the drug is excreted as unchanged compoung in the urine []
Half-life
The concentration or amount of drug in body reduced by one-half in 17 hours []
Metabolism
The drug is metabolized via oxidation by human hepatic CYP450 enzyme system []
Vd
The volume of distribution (Vd) of drug is 42-49 L [3]
Chemical Identifiers
Formula
C7H11N3O3
IUPAC Name
1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Canonical SMILES
CC1=NC=C(N1CC(C)O)[N+](=O)[O-]
InChI
InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
InChIKey
KPQZUUQMTUIKBP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71815
ChEBI ID
CHEBI:94433
CAS Number
3366-95-8
DrugBank ID
DB12834
TTD ID
D0V5IW
INTEDE ID
DR2431
ACDINA ID
D01418
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Nitroreductase (NTR)
Main DME 		DEAN5EW NFSB_ENTCL Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Polyethylene glycol 4000 E00654 Not Available Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Povidone E00667 Not Available Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
Saccharose E00091 5988 Binding agent; Coating agent; Cryoprotectant; Diluent; Flavoring agent; Suspending agent; Viscosity-controlling agent
Talc E00520 16211421 Anticaking agent; Diluent; Glidant; lubricant
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Secnidazole 2 g granule 2 g Granule Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
3 Gillis JC, Wiseman LR: Secnidazole. A review of its antimicrobial activity, pharmacokinetic properties and therapeutic use in the management of protozoal infections and bacterial vaginosis. Drugs. 1996 Apr;51(4):621-38.
4 Overexpression, isotopic labeling, and spectral characterization of Enterobacter cloacae nitroreductase. Protein Expr Purif. 1998 Jun;13(1):53-60.