Details of the Drug

General Information of Drug (ID: DM4VZCW)

Drug Name

Polyinosinic:polycytidylic acid

Synonyms

NSC-120,949; PI:C; Poly 1-poly-c; Poly C poly I; Poly I:poly C; Poly IC; Poly rI:poly rC; Poly(I).poly(C); Poly(I).poly(C) complex; Poly(I:C); Poly(rI)-poly(rC); Poly(rI).(rC); Poly(rI).poly(rC); Poly(rI:rC); Polycytid; Polyinosinic acid.polycytidylic acid; Polyinosinic-polycyticylic acid complex; Polyriboinosinic acid:polyribocytidylic acid; polyinosine-polycytosine

Indication

Disease Entry	ICD 11	Status	REF
Middle East Respiratory Syndrome (MERS)	1D64	Investigative	[1]
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Therapeutic Class

Antiviral Agents

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

671.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

10

Hydrogen Bond Acceptor Count

18

Chemical Identifiers

Formula: C19H27N7O16P2
IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI: InChI=1S/C10H13N4O8P.C9H14N3O8P/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/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)/t4-,6-,7-,10-;4-,6-,7-,8-/m11/s1
InChIKey: ACEVNMQDUCOKHT-ZLOOHWKQSA-N

Cross-matching ID

PubChem CID: 135618150
TTD ID: D0AY7O

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HUMAN toll-like receptor 3 (TLR3)	TT1CN09	TLR3_HUMAN	Agonist	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Middle East Respiratory Syndrome Coronavirus (MERS-CoV): Infection, Immunological Response, and Vaccine Development. J Immunol Res. 2019 Apr 7;2019:6491738. doi: 10.1155/2019/6491738.