Details of the Drug

General Information of Drug (ID: DM6QHDJ)

Drug Name

Ornidazole

Indication

Disease Entry	ICD 11	Status	REF
Amoebiasis	1A36	Approved	[1]
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ATC Code

G01AF06: Ornidazole

G01AF: Imidazole derivatives

G01A: ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS

G01: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS

G: GENITO URINARY SYSTEM AND SEX HORMONES

J01XD03: Ornidazole

J01XD: Imidazole derivatives

J01X: OTHER ANTIBACTERIALS

J01: ANTIBACTERIALS FOR SYSTEMIC USE

J: ANTIINFECTIVES FOR SYSTEMIC USE

P01AB03: Ornidazole

P01AB: Nitroimidazole derivatives

P01A: AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES

P01: ANTIPROTOZOALS

P: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

219.62

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Clearance: The drug present in the plasma can be removed from the body at the rate of 1.08 mL/min/kg [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 12 hours [2]
Unbound Fraction: The unbound fraction of drug in plasma is 0.88% [2]
Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.16 L/kg [2]

Chemical Identifiers

Formula: C7H10ClN3O3
IUPAC Name: 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Canonical SMILES: CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
InChI: InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
InChIKey: IPWKIXLWTCNBKN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 28061
ChEBI ID: CHEBI:75176
CAS Number: 16773-42-5
UNII: 62XCK0G93T
DrugBank ID: DB13026
TTD ID: D0D0BE
INTEDE ID: DR1204

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[3]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Substrate	[3]
Cytochrome P450 3A7 (CYP3A7)	DERD86B	CP3A7_HUMAN	Substrate	[3]
Oxygen-insensitive NADPH nitroreductase A (nfsA)	DEX5D46	NFSA_SALTY	Substrate	[4]
Flavin adenine dinucleotide dehydrogenase (fadd)	DEXG57F	APBE1_KLEP3	Substrate	[5]
Flavin adenine dinucleotide dehydrogenase (fadd)	DE90ZBW	APBE1_KLEP3	Substrate	[5]
Flavin adenine dinucleotide dehydrogenase (fadd)	DE5CJFM	APBE1_KLEP3	Substrate	[5]
Flavin adenine dinucleotide dehydrogenase (fadd)	DE9WXYE	APBE1_KLEP3	Substrate	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	Effect of ketoconazole on the pharmacokinetics of ornidazole--a possible role of p-glycoprotein and CYP3A. Drug Metabol Drug Interact. 2006;22(1):67-77.
4	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.
5	Reduction of azo dyes and nitroaromatic compounds by bacterial enzymes from the human intestinal tract. Environ Health Perspect. 1995 Jun;103 Suppl 5:17-9.