Details of the Drug

General Information of Drug (ID: DMOWEBU)

Drug Name
Pegaptanib
Synonyms Macugen (TN); Pegaptanib Octasodium; Pegaptanib sodium; EYE 001; NX 1838; NX1838
Indication
Disease Entry ICD 11 Status REF
Neovascular age-related macular degeneration 9B78.3Z Approved [1]
Therapeutic Class
Antiangiogenic Agents
Drug Type
Aptamer
Sequence
CGGAAUCAGUGAAUGCUUAUACAUCCGT
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 541.6
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 24
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 10
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 10 days [2]
Metabolism
The drug is metabolized via the endonucleases and exonucleases []
Chemical Identifiers
Formula
C22H44N3O10P
IUPAC Name
7-[[(2S)-2,6-bis(2-methoxyethoxycarbonylamino)hexanoyl]amino]heptoxy-methylphosphinic acid
Canonical SMILES
COCCOC(=O)NCCCC[C@@H](C(=O)NCCCCCCCOP(=O)(C)O)NC(=O)OCCOC
InChI
InChI=1S/C22H44N3O10P/c1-31-15-17-33-21(27)24-13-9-7-11-19(25-22(28)34-18-16-32-2)20(26)23-12-8-5-4-6-10-14-35-36(3,29)30/h19H,4-18H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)/t19-/m0/s1
InChIKey
WLCZTRVUXYALDD-IBGZPJMESA-N
Cross-matching ID
PubChem CID
56603655
DrugBank ID
DB04895
TTD ID
D0UF9W

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuropilin-1 (NRP1) TTIPJCB NRP1_HUMAN Not Available [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6836).
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Pegaptanib, a targeted anti-VEGF aptamer for ocular vascular disease. Nat Rev Drug Discov. 2006 Feb;5(2):123-32.