Details of the Drug

General Information of Drug (ID: DM6QHDJ)

Drug Name
Ornidazole
Indication
Disease Entry ICD 11 Status REF
Amoebiasis 1A36 Approved [1]
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) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
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
DrugBank ID
DB13026
TTD ID
D0D0BE
INTEDE ID
DR1204
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.