Details of the Drug

General Information of Drug (ID: DMAZ2L6)

Drug Name
TROXACITABINE
Synonyms Troxatyl; BCH-4556; SPD-758; Troxacitabine < Prop INN; Beta-L-OddC; (-)-beta-L-Dioxolanecytidine
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 213.19
Logarithm of the Partition Coefficient (xlogp) -1.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 2.4 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 82 hours [2]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1 L/kg [2]
Chemical Identifiers
Formula
C8H11N3O4
IUPAC Name
4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
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
Cross-matching ID
PubChem CID
454194
ChEBI ID
CHEBI:134886
CAS Number
145918-75-8
DrugBank ID
DB04961
TTD ID
D0D6SZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Binder [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00129948) Study for Patients With Relapsed or Refractory Acute Myeloid Leukemia (AML). U.S. National Institutes of Health.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Troxacitabine. Bull Cancer. 2004 Mar;91(3):213-8.