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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL80
CHEMBL80
Compound Name NALOXONE
ChEMBL Synonyms NARCAN | Narcan | Suboxone | Narcanti | PRENOXAD | NALOXONE HYDROCHLORIDE | EN-15304 | Nalone | Narconil | EVZIO | NALOXONE | NARCAN NEONATAL
Max Phase 4 (Approved)
Trade Names NALOXONE | NALOXONE HYDROCHLORIDE | NARCAN NEONATAL | Narcan | Nalone | PRENOXAD | Narcanti | NARCAN | EVZIO | Narconil
Molecular Formula C19H21NO4

Additional synonyms for CHEMBL80 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Standard InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24 ...
Download InChI
Standard InChI Key UZHSEJADLWPNLE-GRGSLBFTSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL80

Molecule Features

CHEMBL80 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Opioid receptors; mu/kappa/delta antagonist Opioid receptors; mu/kappa/delta FDA PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus2ClinicalTrials
Feeding and Eating DisordersD001068EFO:0005203eating disorder2ClinicalTrials
PruritusD011537HP:0000989Pruritus2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer3ClinicalTrials
ObesityD009765EFO:0001073obesity2ClinicalTrials
Opioid-Related DisordersD009293EFO:0005611opioid dependence3ClinicalTrials
ClinicalTrials
GamblingD005715EFO:0004699gambling behaviour2ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease3ClinicalTrials
ConstipationD003248HP:0002019constipation2ClinicalTrials
Hepatitis CD006526EFO:0003047hepatitis C infection1ClinicalTrials
PainD010146EFO:0003843pain4ClinicalTrials
ClinicalTrials
DailyMed
Substance Withdrawal SyndromeD013375EFO:0005800substance withdrawal syndrome3ClinicalTrials
Diabetic NeuropathiesD003929EFO:1000783diabetic neuropathy2ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy3ClinicalTrials
Heroin DependenceD006556EFO:0004240heroin dependence3ClinicalTrials
Irritable Bowel SyndromeD043183EFO:0000555irritable bowel syndrome2ClinicalTrials
Morphine DependenceD009021EFO:0005612morphine dependence3ClinicalTrials
Mycosis FungoidesD009182EFO:1001051mycosis fungoides3ClinicalTrials
Substance-Related DisordersD019966EFO:0003890drug dependence1ClinicalTrials
HypogonadismD0070061ClinicalTrials
Sezary SyndromeD012751EFO:1000785Sezary's disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov NALOXONE
The Cochrane Collaboration NALOXONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL80. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 0.999
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.968



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL1795167 Toll-like receptor 4 Mus musculus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.978
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.973

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
327.4 327.1471 1.3 2 70 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.16 6.71 1.77 1.66 1 24 0.8

Structural Alerts

There are 4 structural alerts for CHEMBL80. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A06 - DRUGS FOR CONSTIPATION
A06A - DRUGS FOR CONSTIPATION
A06AH - Peripheral opioid receptor antagonists
A06AH04 - naloxone

V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AB - Antidotes
V03AB15 - naloxone

ChemSpider ChemSpider:UZHSEJADLWPNLE-GRGSLBFTSA-N
DailyMed naloxone hydrochloride
PubChem SID: 144205559 SID: 170465008
Wikipedia Naloxone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL80



ACToR 465-65-6
BindingDB 54795 50000788
Brenda 6568 36382
ChEBI 7459
DrugBank DB01183
DrugCentral 1878
eMolecules 29542145
EPA CompTox Dashboard DTXSID8023349
FDA SRS 36B82AMQ7N
Guide to Pharmacology 1676 1638
Human Metabolome Database HMDB0015314
IBM Patent System 4349DEB636AEA7C72681AA8B0CAAF264
KEGG Ligand C07252
LINCS LSM-3504
Mcule MCULE-1335589007
Metabolights MTBLC7459
Nikkaji J5.894G
PharmGKB PA450586
PubChem 5284596
PubChem: Thomson Pharma 14777335 14924176 16463984
SureChEMBL SCHEMBL34284
ZINC ZINC000000389747

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UZHSEJADLWPNLE-GRGSLBFTSA-N spacer
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