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]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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)