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
CAS Number
65666-07-1
TTD ID
D0C5VQ
VARIDT ID
DR00878

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.