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Compound Detail

CHEMBL1718

NALOXONE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1718
Name NALOXONE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key RGPDIGOSVORSAK-STHHAXOLSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL80
Active Moiety CHEMBL80

Known Names

Anhydrous naloxone hydrochloride EN-15304 Evzio Evzio (autoinjector) Kloxxado Naloxone hcl Naloxone hydrochloride Naloxone hydrochloride (autoinjector) Naloxone hydrochloride anhydrous Naloxone hydrochloride component of bunavail Naloxone hydrochloride component of cassipa Naloxone hydrochloride component of suboxone +15 more
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
27
Known Names
7
Indications
1
Mechanisms

Molecular Properties

327.4
MW (Da)
1.30
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1971
Availability OTC
Chirality Single Enantiomer

Routes of Administration

Oral Parenteral Topical

Flags

Natural Product
USAN Stem nal-
USAN Year 1963

Extended Properties

Molecular Formula C19H22ClNO4
MW 363.84
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.94

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Opioid receptors; mu/kappa/delta antagonist ANTAGONIST Opioid receptors; mu/kappa/delta ✓ ✓

Indications

Depression Pain Shock, Septic Constipation Intestinal Obstruction Gambling Opioid-Related Disorders

Activity Summary

IC50 4 meas. best 8.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptors; mu/kappa/delta
CHEMBL2095181
 IC50 8.37 8.315 4.3 2
Kappa-type opioid receptor
CHEMBL237
 IC50 6.74 6.475 182.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Opioid receptors; mu/kappa/delta IC50 = 4.3 nM 8.37 Displacement of [3H] naloxone from opioid receptor (unknown origin) in presence ... 894682
Opioid receptors; mu/kappa/delta IC50 = 5.5 nM 8.26 Displacement of [3H] naloxone from opioid receptor (unknown origin) 894682
Kappa-type opioid receptor IC50 = 182.0 nM 6.74 PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... -
Kappa-type opioid receptor IC50 = 616.0 nM 6.21 PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Antagonists of the KOR Re... -

Literature References

PubMed DOI Target Context # Activities
69027 10.1021/jm00216a023 Mus musculus 6
7265120 10.1021/jm00135a019 Mus musculus 5
6121915 10.1021/jm00345a005 Mus musculus 5
2876100 10.1021/jm00160a022 Mus musculus 4
619143 10.1021/jm00199a030 Mus musculus 4
16134 10.1021/jm00215a012 Rattus norvegicus 3
894682 10.1021/jm00218a023 Opioid receptors; mu/kappa/delta 3
35308026 10.1039/d1md00285f Unchecked 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
16134 10.1021/jm00215a012 Mus musculus 2
69027 10.1021/jm00216a023 Unchecked 2
17417631 10.1038/nchembio873 Unchecked 2
401892 10.1021/jm00212a007 Rhesus monkey 1
69027 10.1021/jm00216a023 Rhesus monkey 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
21392859 10.1016/j.ejmech.2011.02.024 Kappa-type opioid receptor 1
21392859 10.1016/j.ejmech.2011.02.024 Mu-type opioid receptor 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine