NALOXONE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A06AH04 V03AB15
UNII 36B82AMQ7N
EPA CompTox DTXSID8023349

Structure

InChI Key UZHSEJADLWPNLE-GRGSLBFTSA-N
Smiles C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
InChI
InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21NO4
Molecular Weight 327.38
AlogP 1.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 70.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- - 10.5-20.8 - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
1.5-10 0.004-320 0.2188-154 0.23-362 50-105.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 5 - - -
Cavia porcellus
- 8.9-127 1.862-19.95 0.68-103 -
Homo sapiens
10 1.6-320 0.2188 0.23-362 50-105.6
Mus musculus
- 15.37 2.951-125.89 53.2 -
Rattus norvegicus
1.5-9.1 6.39-46 0.4-154 1.4-103 -

Related Entries

Cross References

Resources Reference
ChEBI 7459
ChEMBL CHEMBL80
DrugBank DB01183
DrugCentral 1878
FDA SRS 36B82AMQ7N
Human Metabolome Database HMDB0015314
Guide to Pharmacology 1676
KEGG C07252
PharmGKB PA450586
PubChem 5284596
SureChEMBL SCHEMBL34284
ZINC ZINC000000389747
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