Details of the Drug

General Information of Drug (ID: DM2570B)

• Drug Name: Poly-ICLC

Indication

Disease Entry	ICD 11	Status	REF
Glioblastoma multiforme	2A00.0	Phase 2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 2	[2]
Recurrent glioblastoma	2A00.00	Phase 1/2	[2]

• ATC Code:
  L03AX08: Poly-ICLC
  L03AX: Other immunostimulants
  L03A: IMMUNOSTIMULANTS
  L03: IMMUNOSTIMULANTS
  L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 879.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 13
  Hydrogen Bond Donor Count; 15
  Hydrogen Bond Acceptor Count; 24
• Chemical Identifiers:
  Formula: C26H43N9O21P2
  IUPAC Name: 4-aminobutylcarbamic acid;[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;2-hydroxyacetic acid
  Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.C(CCNC(=O)O)CN.C(C(=O)O)O
  InChI: InChI=1S/C10H13N4O8P.C9H14N3O8P.C5H12N2O2.C2H4O3/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;6-3-1-2-4-7-5(8)9;3-1-2(4)5/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);7H,1-4,6H2,(H,8,9);3H,1H2,(H,4,5)
  InChIKey: MRYYMYCQXMFJNE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 136033680
  TTD ID: D0V8AG
• 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
Toll-like receptor 3 (TLR3)	TTD24Y0	TLR3_HUMAN	Inducer	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Glioblastoma multiforme
• ICD Disease Classification: 2A00.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Toll-like receptor 3 (TLR3)	DTT	TLR3	4.85E-01	0.63	0.83
Toll-like receptor 3 (TLR3)	DTT	TLR3	8.00E-01	0.11	0.1

References

• [1] Toll like receptor-3 ligand poly-ICLC promotes the efficacy of peripheral vaccinations with tumor antigen-derived peptide epitopes in murine CNS tumor models. J Transl Med. 2007 Feb 12;5:10.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)