Details of the Drug

General Information of Drug (ID: DMYNIG5)

Drug Name
WS-070117
Indication
Disease Entry ICD 11 Status REF
Hyperlipidaemia 5C80 Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 485.4
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C22H23N5O8
IUPAC Name
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[6-(3-hydroxyanilino)purin-9-yl]oxolan-2-yl]methyl acetate
Canonical SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4=CC(=CC=C4)O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C22H23N5O8/c1-11(28)32-8-16-18(33-12(2)29)19(34-13(3)30)22(35-16)27-10-25-17-20(23-9-24-21(17)27)26-14-5-4-6-15(31)7-14/h4-7,9-10,16,18-19,22,31H,8H2,1-3H3,(H,23,24,26)/t16-,18-,19-,22-/m1/s1
InChIKey
IUDLPZTURGVXEA-WGQQHEPDSA-N
Cross-matching ID
PubChem CID
45377904
ChEBI ID
CHEMBL5557642
TTD ID
D0OH9B
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lipoprotein lipase (LPL) TTOF3WZ LIPL_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Alipogene tiparvovec for the treatment of lipoprotein lipase deficiency. Drugs Today (Barc). 2013 Mar;49(3):161-70.