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

General Information of Drug (ID: DR5391)
Drug Name
OZ277
Synonyms
Arterolane; UNII-3N1TN351VB; 664338-39-0; OZ277; 3N1TN351VB; OZ-277; C22H36N2O4; Arterolane [INN]; RBx11160; OZ 277; SCHEMBL4547841; CHEMBL404431; CHEMBL580910; CHEMBL221773; SCHEMBL12612733; CHEMBL1197433; SCHEMBL13951812; SCHEMBL11379522; SCHEMBL10307589; VXYZBLXGCYNIHP-BBMJWGJISA-N; VXYZBLXGCYNIHP-CAGINOIPSA-N; ZINC14191464; RBX-11160; NCGC00274173-01; HY-10852; Y1261
Indication Malaria [ICD11: 1F40-1F45] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 392.5 Topological Polar Surface Area 82.8
Heavy Atom Count 28 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
10475633
ChEBI ID
CHEBI:136054
CAS Number
664338-39-0
TTD Drug ID
D00ZTD
Formula
C22H36N2O4
Canonical SMILES
CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N
InChI
InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
InChIKey
VXYZBLXGCYNIHP-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
OZ381 DM015770
11599547
Oxidation - Hydroxylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007811 OZ277 OZ381 Oxidation - Hydroxylation Unclear [3]
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]
References
1 The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
2 Safety, tolerability and pharmacokinetic profile of single and multiple oral doses of arterolane (RBx11160) maleate in healthy subjects
3 Characterization of the two major CYP450 metabolites of ozonide (1,2,4-trioxolane) OZ277

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