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

General Information of Drug (ID: DR5277)
Drug Name
Omacetaxine mepesuccinate
Synonyms Synribo (TN)
Indication Chronic myelogenous leukaemia [ICD11: 2A20] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 545.6 Topological Polar Surface Area 124
Heavy Atom Count 39 Rotatable Bond Count 11
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
285033
ChEBI ID
CHEBI:71019
CAS Number
26833-87-4
TTD Drug ID
D0M4XY
Formula
C29H39NO9
Canonical SMILES
CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O
InChI
InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1
InChIKey
HYFHYPWGAURHIV-JFIAXGOJSA-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
4'-DMHHT DM016949 N. A. Hydrolysis - Hydrolysis 1 [2]
Cephalotaxine DM015041
65305
Hydrolysis - Ester hydrolysis 1 [3]
Omacetaxine mepesuccinate metabolite M520 DM016948 N. A. Unclear - Unclear 1 [3]
Omacetaxine mepesuccinate metabolite M534 DM016947 N. A. Unclear - Unclear 1 [3]
Omacetaxine mepesuccinate metabolite M548A DM016951 N. A. Oxidation - Demethylation 1 [3]
Omacetaxine mepesuccinate metabolite M562A DM016950 N. A. Oxidation - Demethylation 1 [3]
4'-DMHHT DM016949 N. A. Oxidation - Demethylation 2 [3]
Omacetaxine mepesuccinate metabolite M520 DM016948 N. A. Unclear - Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007803 Omacetaxine mepesuccinate Omacetaxine mepesuccinate metabolite M534 Unclear - Unclear Unclear [3]
MR007806 Omacetaxine mepesuccinate Cephalotaxine Hydrolysis - Ester hydrolysis Unclear [3]
MR007807 Omacetaxine mepesuccinate Omacetaxine mepesuccinate metabolite M562A Oxidation - Demethylation Unclear [3]
MR007808 Omacetaxine mepesuccinate Omacetaxine mepesuccinate metabolite M548A Oxidation - Demethylation Unclear [3]
MR007809 Omacetaxine mepesuccinate 4'-DMHHT Hydrolysis - Hydrolysis PE [2]
MR007810 Omacetaxine mepesuccinate Omacetaxine mepesuccinate metabolite M520 Unclear - Unclear Unclear [3]
MR007804 Omacetaxine mepesuccinate metabolite M534 Omacetaxine mepesuccinate metabolite M520 Unclear - Unclear Unclear [3]
MR007805 Omacetaxine mepesuccinate metabolite M534 4'-DMHHT Oxidation - Demethylation Unclear [3]
⏷ Show the Full List of 8 MR(s)
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7454).
2 PubChem:Omacetaxine mepesuccinate
3 Metabolite profiling of (14)C-omacetaxine mepesuccinate in plasma and excreta of cancer patients

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