Details of the Drug

General Information of Drug (ID: DM7YWVT)

Drug Name
PRX-321
Synonyms
Silybin B; Milk thistle; 142797-34-0; UNII-853OHH1429; Flavobion; Legalon 70; 853OHH1429; CCRIS 7096; Wild Artichoke; Silybum marianum; Silybin A and B; Milk thistle [NF]; Silymarin + Melatonin; AC1LU7MH; UNII-U946SH95EE; Milk Thistle (Silybum marianum) Extract or Powder; SCHEMBL751461; Silybin B, analytical standard; U946SH95EE; CHEMBL592675; Milk Thistle (Silybum marianum) Extract or Powder [seed]; DTXSID30858697; SEBFKMXJBCUCAI-WAABAYLZSA-N; MolPort-039-139-345; ZINC1530850; BDBM50088491; 2717AH; AKOS015912848
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 2 [1]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 482.4
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C25H22O10
IUPAC Name
(2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Canonical SMILES
COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChI
InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
InChIKey
SEBFKMXJBCUCAI-WAABAYLZSA-N
Cross-matching ID
PubChem CID
1548994
ChEBI ID
CHEMBL592675
CAS Number
65666-07-1
UNII
U946SH95EE
DrugBank ID
DB14375
TTD ID
D0C5VQ
VARIDT ID
DR00878
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Interleukin 4 receptor alpha (IL4R) TTDWHC3 IL4RA_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Interleukin 4 receptor alpha (IL4R) DTT IL4R 1.48E-08 0.76 3.74
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00797940) Convection Enhanced Localized Administration of PRX321 With Real-time Imaging for Therapy of Recurrent Glioblastoma (CLARITY-1). U.S. National Institutes of Health.
2 Convection-enhanced drug delivery of interleukin-4 Pseudomonas exotoxin (PRX321): increased distribution and magnetic resonance monitoring. J Pharmacol Exp Ther. 2009 Aug;330(2):520-5.