oxycodegol   Click here for help

GtoPdb Ligand ID: 10652

Synonyms: loxicodegol (deleted INN) | NKTR-181 | NKTR181
Compound class: Synthetic organic
Comment: Oxycodegol (NKTR-181; Nektar Therapeutics) is a μ-opioid receptor agonist analgesic [3]. It was designed to enter the brain slowly, so as to reduce CNS-mediated side effects and abuse potential.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 20
Topological polar surface area 106.54
Molecular weight 595.34
XLogP -0.47
No. Lipinski's rules broken 1
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Canonical SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC)O
Isomeric SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC)O
InChI InChI=1S/C31H49NO10/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2/h4-5,25-26,29,33H,6-22H2,1-3H3/t25-,26+,29-,30-,31+/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9971 oxycodegol
Synonyms Click here for help
loxicodegol (deleted INN) | NKTR-181 | NKTR181
Database Links Click here for help
Specialist databases
GPCRdb Ligand oxycodegol
Other databases
CAS Registry No. 1211231-76-3 (source: WHO INN record)
GtoPdb PubChem SID 404859099
PubChem CID 73673720
Search Google for chemical match using the InChIKey RQHILGKAOIGUHU-XPLSERNMSA-N
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UniChem Compound Search for chemical match using the InChIKey RQHILGKAOIGUHU-XPLSERNMSA-N
UniChem Connectivity Search for chemical match using the InChIKey RQHILGKAOIGUHU-XPLSERNMSA-N