NALTREXONE


Trade Names	VIVITROL
Synonyms	Celupan EN-1639A EN-1639A FREE BASE EN-1639A [AS HYDROCHLORIDE] NSC-758439 Naltrexone Revia Trexal Trexan Vivitrol
Status
Molecule Category	Free-form
ATC	N07BB04
UNII	5S6W795CQM
EPA CompTox	DTXSID4046313

Structure


InChI Key	DQCKKXVULJGBQN-XFWGSAIBSA-N
Smiles	O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChI	InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H23NO4
Molecular Weight	341.41
AlogP	1.53
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	70.0
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	25.0

Pharmacology

Mechanism of Action	Action	Reference
Opioid receptors; mu/kappa/delta antagonist	ANTAGONIST	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor	0.16-21	0.2-221	0.05012-38.9	0.02-143.5	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	40.3

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	0.2-50	-	0.17-94.9	25
Homo sapiens	0.38-21	0.59-200	0.05012-1.585	0.02-95.5	40.3
Mus musculus	0.16-4.4	6.62	1.738-38.9	0.265-143.5	-
Rattus norvegicus	0.5-2	6.77	-	0.46-94.9	21

Target Conservation


Protein: Opioid receptors; mu/kappa/delta Description: Mu-type opioid receptor Organism : Homo sapiens P35372 ENSG00000112038












Protein: Opioid receptors; mu/kappa/delta Description: Delta-type opioid receptor Organism : Homo sapiens P41143 ENSG00000116329










Protein: Opioid receptors; mu/kappa/delta Description: Kappa-type opioid receptor Organism : Homo sapiens P41145 ENSG00000082556

Related Entries

Cross References

Resources	Reference
ChEBI	7465
ChEMBL	CHEMBL19019
DrugBank	DB00704
DrugCentral	1765
FDA SRS	5S6W795CQM
Human Metabolome Database	HMDB0014842
Guide to Pharmacology	1639
KEGG	C07253
PharmGKB	PA450588
PubChem	5360515
SureChEMBL	SCHEMBL34681
ZINC	ZINC000000001773

CONTENTS

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...

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Last update: Monday, 3 November 2025