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

Topological Polar Surface Area (xlogp)

0.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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 [4]
Elimination: Approximately 15% of the drug is excreted as unchanged compoung in the urine [4]
Half-life: The concentration or amount of drug in body reduced by one-half in 17 hours [5]
Metabolism: The drug is metabolized via oxidation by human hepatic CYP450 enzyme system [5]
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

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	[6]

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Molecular Interaction Atlas (MIA)

MIA Detail

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
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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	An FDA phase I clinical trial of quinacrine sterilization (QS). Int J Gynaecol Obstet. 2003 Oct;83 Suppl 2:S45-9.
5	FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
6	Overexpression, isotopic labeling, and spectral characterization of Enterobacter cloacae nitroreductase. Protein Expr Purif. 1998 Jun;13(1):53-60.