Details of the Drug

General Information of Drug (ID: DMGZPX6)

• Drug Name: PI-88
• Synonyms: CHEMBL603733

Indication

Disease Entry	ICD 11	Status	REF
Hepatocellular carcinoma	2C12.02	Phase 3	[1]
Prostate cancer	2C82.0	Phase 2	[1]

• Therapeutic Class: Anticancer Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 2516.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 30
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 77
• Chemical Identifiers:
  Formula: C30H35Na15O77PS16-3
  IUPAC Name: pentadecasodium;[(2R,3R,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-3,5-disulfonatooxy-2-(sulfonatooxymethyl)-6-[(2R,3S,4R,5R,6R)-2,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4,5-trisulfonatooxyoxan-2-yl]methyl phosphate
  Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2OS(=O)(=O)[O-])O[C@H]3[C@@H]([C@H](O[C@@H]([C@H]3OS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H](O[C@@H]([C@H]4OS(=O)(=O)[O-])O[C@H]5[C@H]([C@@H]([C@H](O[C@@H]5OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
  InChI: InChI=1S/C30H53O77PS16.15Na/c31-108(32,33)82-1-6-14(99-116(55,56)57)20(102-119(64,65)66)25(106-123(76,77)78)29(87-6)94-17-12(97-114(49,50)51)8(3-84-110(37,38)39)89-27(23(17)104-121(70,71)72)92-16-11(96-113(46,47)48)7(2-83-109(34,35)36)88-26(22(16)103-120(67,68)69)93-18-13(98-115(52,53)54)9(4-85-111(40,41)42)90-28(24(18)105-122(73,74)75)95-21-19(101-118(61,62)63)15(100-117(58,59)60)10(5-86-112(43,44)45)91-30(21)107-124(79,80)81;;;;;;;;;;;;;;;/h6-30H,1-5H2,(H2,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81);;;;;;;;;;;;;;;/q;15*+1/p-18/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-;;;;;;;;;;;;;;;/m1.............../s1
  InChIKey: FIYNUMVQYZZZCH-JSZMYKOGSA-A
• Cross-matching ID:
  PubChem CID: 46233427
  DrugBank ID: DB05808
  TTD ID: D04ZJG
• 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
Vascular endothelial growth factor receptor 3 (FLT-4)	TTDCBX5	VGFR3_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 02 Neoplasm
• Disease Class: ICD-11: 2C82 Prostate cancer
• The Studied Tissue: Prostate
• The Studied Disease: Prostate cancer [ICD-11:2C82]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Vascular endothelial growth factor receptor 3 (FLT-4)	DTT	FLT4	8.36E-03	0.45	0.97

References

• [1] Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.
• [2] Company report (Medigen)