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

General Information of Drug (ID: DR3298)
Drug Name
RX-3117
Synonyms Antimetabolite (cancer), Rexahn; Antimetabolite (cancer), Rexahn/ Teva
Indication Bladder cancer [ICD11: 2C94] Phase 2 [1]
Pancreatic cancer [ICD11: ICD11: 2C10] Phase 2 [2]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Phase 1 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 257.22 Topological Polar Surface Area 119
Heavy Atom Count 18 Rotatable Bond Count 2
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
11242315
ChEBI ID
CHEBI:147412
CAS Number
865838-26-2
TTD Drug ID
D0L7WS
Formula
C10H12FN3O4
Canonical SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(=C2F)CO)O)O
InChI
InChI=1S/C10H12FN3O4/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18/h1-2,7-9,15-17H,3H2,(H2,12,13,18)/t7-,8-,9+/m1/s1
InChIKey
QLLGKCJUPWYJON-HLTSFMKQSA-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
RX-MP DM017215 N. A. Unclear - Unclear 1 [6]
RX-DP DM017216 N. A. Unclear - Unclear 2 [6]
RX-TP DM017217 N. A. Unclear - Unclear 3 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008284 RX-3117 RX-MP Unclear - Unclear UCK2 [6]
MR008285 RX-MP RX-DP Unclear - Unclear Unclear [6]
MR008286 RX-DP RX-TP Unclear - Unclear Unclear [6]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Uridine-cytidine kinase 2 (UCK2) DME0480 Homo sapiens
UCK2_HUMAN
2.7.1.48
[4]
Uridine-cytidine kinase 2 (UCK2) DME0480 Homo sapiens
UCK2_HUMAN
2.7.1.48
[5]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 ClinicalTrials.gov (NCT02030067) Dose-Finding and Safety Study for Oral Single-Agent to Treat Advanced Malignancies. U.S. National Institutes of Health.
4 The Cytidine Analog Fluorocyclopentenylcytosine (RX-3117) Is Activated by Uridine-Cytidine Kinase 2
5 A multicenter phase 1/2 study investigating the safety, pharmacokinetics, pharmacodynamics and efficacy of a small molecule antimetabolite, RX-3117, plus nab-paclitaxel in pancreatic adenocarcinoma
6 Metabolism, mechanism of action and sensitivity profile of fluorocyclopentenylcytosine (RX-3117; TV-1360)

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