Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1204)
Drug Name
RO-7-0207
Synonyms
Madelen; Ornidazol; Ornidazole; Ornidazol [INN-Spanish]; Ornidazole Levo-; Ornidazole [USAN:INN]; Ornidazolum; Ornidazolum [INN-Latin]; Ro 7-0207; Ro-70207; Ro7-0207; Tiberal; 1-(2-Hydroxy-3-chloropropyl)-2-methyl-5-nitroimidazole; 1-(3-Chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole; 1-Chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)-2-propanol; 1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol; 16773-42-5; BRN 0614299; C7H10ClN3O3; CCRIS 9030; EINECS 240-826-0; MLS000028628; NSC 95075
Indication Colon cancer [ICD11: 2B90] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 219.62 Topological Polar Surface Area 83.9
Heavy Atom Count 14 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
28061
ChEBI ID
CHEBI:75176
CAS Number
16773-42-5
TTD Drug ID
D0D0BE
Formula
C7H10ClN3O3
Canonical SMILES
CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
(2S,3S,4S,5R)-6-[1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid DM005978
154699732
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006437 RO-7-0207 (2S,3S,4S,5R)-6-[1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Unclear CYP3A4 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[2]
Flavin adenine dinucleotide dehydrogenase (fadd) DME1864 Clostridium leptum
APBE1_KLEP3
1.5.1.37
[3]
Flavin adenine dinucleotide dehydrogenase (fadd) DME1865 Clostridium perfringens
APBE1_KLEP3
1.5.1.37
[3]
Flavin adenine dinucleotide dehydrogenase (fadd) DME1866 Clostridium sporogenes
APBE1_KLEP3
1.5.1.37
[3]
Flavin adenine dinucleotide dehydrogenase (fadd) DME1868 Eubacterium oxidoreducens
APBE1_KLEP3
1.5.1.37
[3]
Oxygen-insensitive NADPH nitroreductase A (nfsA) DME1971 Salmonella enterica
NFSA_SALTY
1.5.1.38
[4]
⏷ Show the Full List of 8  DME(s)
References
1 ClinicalTrials.gov (NCT03491540) Mechanical Bowel Preparation and Oral Antibiotics Before Rectal Cancer Surgery.
2 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.
3 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.
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.

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