Details of the Drug

General Information of Drug (ID: DM5CR96)

Drug Name

P-536

Synonyms

5'-O-[[[(2,3,4,6-Tetra-O-benzoyl-alpha-D-glucopyranosyl)oxy]carbonyl]sulfamate]uridine; 5'-O-[[[[2",3",4",6"-Tetra-O-benzoyl-alpha-D-glucopyranosyl)oxy]carbonyl]amino]sulfonyl]uridine

Indication

Disease Entry	ICD 11	Status	REF
Virus infection	1A24-1D9Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C44H39N3O19S
Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC(=O)NS(=O)(=O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: 1S/C44H39N3O19S/c48-31-21-22-47(43(55)45-31)37-33(50)32(49)29(61-37)24-60-67(57,58)46-44(56)66-42-36(65-41(54)28-19-11-4-12-20-28)35(64-40(53)27-17-9-3-10-18-27)34(63-39(52)26-15-7-2-8-16-26)30(62-42)23-59-38(51)25-13-5-1-6-14-25/h1-22,29-30,32-37,42,49-50H,23-24H2,(H,46,56)(H,45,48,55)/t29-,30-,32-,33-,34-,35+,36-,37-,42-/m1/s1
InChIKey: SUAOMMKFCCTVDC-NSIBRLCRSA-N

Cross-matching ID

PubChem CID: 146432
CAS Number: 93426-60-9
TTD ID: D02KLE

References

1	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.