EcoDrugPlus


Synonyms	Loxicodegol NKTR-181 Nktr-181 Oxicodegol Oxycodegol
Status
Molecule Category	Free-form
UNII	J2WIV0JMML

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SubStructure

Threshold (%) >= 70


InChI Key	RQHILGKAOIGUHU-BUCMUWKRSA-N
Smiles	COCCOCCOCCOCCOCCOCCO[C@H]1CCC2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C31H49NO10
Molecular Weight	595.73
AlogP	1.59
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	20.0
Polar Surface Area	106.54
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	42.0

Mechanism of Action	Action	Reference
Mu opioid receptor agonist	AGONIST	FDA PubMed

Target Conservation


Protein: Mu opioid receptor Description: Mu-type opioid receptor Organism : Homo sapiens P35372 ENSG00000112038

Cross References

Resources	Reference
ChEMBL	CHEMBL4297632
FDA SRS	J2WIV0JMML
PubChem	73673720

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

OXYCODEGOL

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References