NALTREXONE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: Salt
UNII: Z6375YW9SF
Parent Compound: NALTREXONE

Structure
InChI Key RHBRMCOKKKZVRY-ITLPAZOVSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Opioid receptors; mu/kappa/delta antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 14.58
Enzyme Transferase
- - - - 11.3
Enzyme
- - - - 11.3
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -2.65-2.62
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 4 D010146 ClinicalTrials
Self-Injurious Behavior 3 D016728 ClinicalTrials
Chronic Pain 3 D059350 ClinicalTrials
Charcot-Marie-Tooth Disease 3 D002607 ClinicalTrials
Feeding and Eating Disorders 2 D001068 ClinicalTrials
Amphetamine-Related Disorders 2 D019969 ClinicalTrials
Opioid-Related Disorders 1 D009293 ClinicalTrials
Severe Acute Respiratory Syndrome 1 D045169 ClinicalTrials
Opioid-Related Disorders 1 D009293 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
20.24
General disorders and administration site conditions
17.43
Nervous system disorders
14.71
Injury, poisoning and procedural complications
10.68
Gastrointestinal disorders
7.31
Musculoskeletal and connective tissue disorders
5.81
Cardiac disorders
4.22
Investigations
4.03
Skin and subcutaneous tissue disorders
3.37
Vascular disorders
2.62
Eye disorders
2.06

Cross References

Resources Reference
ChEBI 134687
ChEMBL CHEMBL1201149
DrugBank DB05508
FDA SRS Z6375YW9SF
PubChem 5485201
SureChEMBL SCHEMBL37713
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