Details of the Drug

General Information of Drug (ID: DMMIYZ7)

Drug Name
Palifosfamide
Synonyms ZIO-201
Indication
Disease Entry ICD 11 Status REF
Soft tissue sarcoma 2B57 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 221.02
Logarithm of the Partition Coefficient (xlogp) -0.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C4H11Cl2N2O2P
IUPAC Name
bis(2-chloroethylamino)phosphinic acid
Canonical SMILES
C(CCl)NP(=O)(NCCCl)O
InChI
InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)
InChIKey
BKCJZNIZRWYHBN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
100427
ChEBI ID
CHEBI:80566
CAS Number
31645-39-3
DrugBank ID
DB05668
TTD ID
D04FDN

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 [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Soft tissue sarcoma
ICD Disease Classification 2B57
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 ClinicalTrials.gov (NCT01808534) Palifosfamide in Treating Patients With Recurrent Germ Cell Tumors. U.S. National Institutes of Health.
2 Anticancer activity of stabilized palifosfamide in vivo: schedule effects, oral bioavailability, and enhanced activity with docetaxel and doxorubicin. Anticancer Drugs. 2012 Feb;23(2):173-84.