NALTREXONE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII Z6375YW9SF
Parent Compound: NALTREXONE

Structure

InChI Key RHBRMCOKKKZVRY-ITLPAZOVSA-N
Smiles Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChI
InChI=1S/C20H23NO4.ClH/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;1H/t15-,18+,19+,20-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24ClNO4
Molecular Weight 377.87
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
- 0.55-0.59 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 71.98-86.99
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 71.98-86.99
Homo sapiens
- 0.55-0.59 - - -

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

Cross References

Resources Reference
ChEBI 134687
ChEMBL CHEMBL1201149
FDA SRS Z6375YW9SF
PubChem 5388998
SureChEMBL SCHEMBL37713
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