Molecule Details
InChIKeyDQCKKXVULJGBQN-XFWGSAIBSA-N
Compound NameNaltrexone
Canonical SMILESO=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL8.0
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00704
Drug NameNaltrexone
CAS Number16590-41-3
Groups approved investigational vet_approved
ATC Codes N02AA56 N07BB04 A08AA62
DescriptionDerivative of noroxymorphone that is the N-cyclopropylmethyl congener of naloxone. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alc...

Categories: Agents Causing Muscle Toxicity Alcohol Deterrents Alimentary Tract and Metabolism Alkaloids Analgesics Antiobesity Preparations, Excl. Diet Products Central Nervous System Agents Centrally Acting Antiobesity Products Drugs Used in Addictive Disorders Drugs Used in Alcohol Dependence Hepatotoxic Agents Heterocyclic Compounds, Fused-Ring Morphinans Natural Opium Alkaloids Nervous System Opiate Alkaloids Opiate Antagonists Opioid Antagonists Opioids Peripheral Nervous System Agents Phenanthrenes Sensory System Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome UGT1A1 Substrates
Cross-references: BindingDB: 60212 ChEBI: 7465 CHEMBL19019 ChemSpider: 4514524 Drugs Product Database (DPD): 20300 C07253 D05113 PharmGKB: PA450588 PubChem:5360515 PubChem:46505333 RxCUI: 7243 Therapeutic Targets Database: DAP000379 Wikipedia: Naltrexone ZINC: ZINC000000001773
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P35372 OPRM1 Homo sapiens Human PF00001 9.2 Ki ChEMBL;BindingDB
P41145 OPRK1 Homo sapiens Human PF00001 8.9 Ki ChEMBL;BindingDB
P41143 OPRD1 Homo sapiens Human PF00001 7.8 Ki ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.0 IC50 ChEMBL
DrugBank Target Actions (5)
Target Gene Target Name Action Type
P22309 UGT1A1 UDP-glucuronosyltransferase 1A1 substrate enzymes
P35372 OPRM1 Mu-type opioid receptor antagonist targets
P41143 OPRD1 Delta-type opioid receptor antagonist targets
P41145 OPRK1 Kappa-type opioid receptor antagonist targets
Q99720 SIGMAR1 Sigma non-opioid intracellular receptor 1 antagonist targets