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

General Information of Drug (ID: DR3146)
Drug Name
NUC-3373
Synonyms
Fosifloxuridine nafalbenamide; 1332837-31-6; CHEMBL2181367; EX-A4413; DB14859; J3.616.613D; UNII-4YO6QT3SZ9 component BIOWRMNRHMERIO-XWVUVRNUSA-N; L-Alanine, N-(-2'-deoxy-2',2'-difluoro-p-1-naphthalenyl-5'-cytidylyl)-, phenylmethyl ester
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 613.5 Topological Polar Surface Area 153
Heavy Atom Count 43 Rotatable Bond Count 12
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
53373585
CAS Number
1332837-31-6
TTD Drug ID
DQ9B8C
Formula
C29H29FN3O9P
Canonical SMILES
C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)O)OC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C29H29FN3O9P/c1-18(28(36)39-16-19-8-3-2-4-9-19)32-43(38,42-24-13-7-11-20-10-5-6-12-21(20)24)40-17-25-23(34)14-26(41-25)33-15-22(30)27(35)31-29(33)37/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,31,35,37)/t18-,23-,25+,26+,43?/m0/s1
InChIKey
BIOWRMNRHMERIO-ZVAHOJSLSA-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
FdUMP DM006276
8642
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009770 NUC-3373 FdUMP Unclear - Unclear Unclear [2]
References
1 ClinicalTrials.gov (NCT02723240) NUC-3373 in Advanced Solid Tumours (NuTide:301). U.S. National Institutes of Health.
2 The novel anti-cancer fluoropyrimidine NUC-3373 is a potent inhibitor of thymidylate synthase and an effective DNA-damaging agent

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