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

General Information of Drug (ID: DR3063)
Drug Name
Galocitabine
Synonyms Galocitabine; Ro-09-1390; N-[1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydro-4-pyrimidinyl]-3,4,5-trimethoxybenzamide; 5'-Deoxy-5-fluoro-N4-(3,4,5-trimethoxybenzoyl)cytidine
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Discontinued in Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 439.4 Topological Polar Surface Area 139
Heavy Atom Count 31 Rotatable Bond Count 6
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
65950
CAS Number
124012-42-6
TTD Drug ID
D0Y4AZ
Formula
C19H22FN3O8
Canonical SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)F)O)O
InChI
InChI=1S/C19H22FN3O8/c1-8-13(24)14(25)18(31-8)23-7-10(20)16(22-19(23)27)21-17(26)9-5-11(28-2)15(30-4)12(6-9)29-3/h5-8,13-14,18,24-25H,1-4H3,(H,21,22,26,27)/t8-,13-,14-,18-/m1/s1
InChIKey
TVYPSLDUBVTDIS-FUOMVGGVSA-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
5'-DFCR DM000544
10037499
Unclear - Unclear 1 [2]
5'-DFUR DM000545
18343
Unclear - Unclear 2 [3]
Fluorouracil DM000190
3385
Unclear - Unclear 3 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010335 Galocitabine 5'-DFCR Unclear - Unclear AAM [2]
MR010336 5'-DFCR 5'-DFUR Unclear - Unclear CDA [3]
MR010337 5'-DFUR 5-FU Unclear - Unclear Unclear [4]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002535)
2 Simultaneous determination of a new anticancer drug galocitabine and its metabolites in blood by high-performance liquid chromatography
3 Modified high-performance liquid chromatographic method for analysis of drotaverine in human plasma
4 Measurement of ascorbic acid in human aqueous humour and plasma and bovine aqueous humour by high-performance liquid chromatography with electrochemical detection

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