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

General Information of Drug (ID: DR3181)
Drug Name
TROXACITABINE
Synonyms Troxatyl; BCH-4556; SPD-758; Troxacitabine < Prop INN; Beta-L-OddC; (-)-beta-L-Dioxolanecytidine
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 213.19 Topological Polar Surface Area 97.4
Heavy Atom Count 15 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
454194
ChEBI ID
CHEBI:134886
CAS Number
145918-75-8
TTD Drug ID
D0D6SZ
Formula
C8H11N3O4
Canonical SMILES
C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
InChIKey
RXRGZNYSEHTMHC-BQBZGAKWSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
TROXACITABINE M1 PDM014576 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
TROXACITABINE M2 PDM014577 N. A. Conjugation - Sulfation of primary alcohol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Deoxycytidine kinase (DCK) DME0443 Homo sapiens
DCK_HUMAN
2.7.1.74
[2]
References
1 ClinicalTrials.gov (NCT00129948) Study for Patients With Relapsed or Refractory Acute Myeloid Leukemia (AML). U.S. National Institutes of Health.
2 Troxacitabine prodrugs for pancreatic cancer

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.