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
Affected Organisms
Humans and other mammals
ATC Code
S01LA03: Pegaptanib
S01LA: Antineovascularisation agents
S01L: OCULAR VASCULAR DISORDER AGENTS
S01: OPHTHALMOLOGICALS
S: SENSORY ORGANS
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
UNII
3HP012Q0FH
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.