Details of the Drug

General Information of Drug (ID: DME8ARP)

Drug Name
RX-3117
Synonyms Antimetabolite (cancer), Rexahn; Antimetabolite (cancer), Rexahn/ Teva
Indication
Disease Entry ICD 11 Status REF
Bladder cancer 2C94 Phase 2 [1]
Pancreatic cancer 2C10 Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 257.22
Logarithm of the Partition Coefficient (xlogp) -2.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C10H12FN3O4
IUPAC Name
4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
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
Cross-matching ID
PubChem CID
11242315
ChEBI ID
CHEMBL147412
CAS Number
865838-26-2
UNII
0Z4A82I0JO
DrugBank ID
DB16168
TTD ID
D0L7WS
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA [cytosine-5]-methyltransferase 1 (DNMT1) TT6S2FE DNMT1_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Bladder cancer
ICD Disease Classification 2C94
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
DNA [cytosine-5]-methyltransferase 1 (DNMT1) DTT DNMT1 0.00E+00 2.46 4.65
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT02030067) Dose-Finding and Safety Study for Oral Single-Agent to Treat Advanced Malignancies. U.S. National Institutes of Health.
3 Metabolism, mechanism of action and sensitivity profile of fluorocyclopentenylcytosine (RX-3117; TV-1360). Invest New Drugs. 2013 Dec;31(6):1444-57.