Molecule Details
InChIKeyQVYRGXJJSLMXQH-UHFFFAOYSA-N
Compound NameOrphenadrine
Canonical SMILESCc1ccccc1C(OCCN(C)C)c1ccccc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)14
Pfam Stratification Cross-Family
Avg pChEMBL6.62
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01173
Drug NameOrphenadrine
CAS Number83-98-7
Groups approved investigational
ATC Codes M03BC51 N04AB02 M03BC01
DescriptionA muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm.
Categories: Agents producing tachycardia Amines Anti-Dyskinesia Agents Anti-Parkinson Drugs Anticholinergic Agents Autonomic Agents Benzene Derivatives Benzhydryl Compounds Central Nervous System Agents Central Nervous System Depressants Centrally-mediated Muscle Relaxation Cholinergic Agents Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strong) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strong) Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Ethers, Chemically Close to Antihistamines Ethylamines Histamine Antagonists Histamine H1 Antagonists Miscellaneous Skeletal Muscle Relaxants Muscarinic Antagonists Muscle Relaxants Muscle Relaxants, Centrally Acting Agents Musculo-Skeletal System NMDA Receptor Antagonists Nervous System Neurotransmitter Agents Parasympatholytics Peripheral Nervous System Agents Potential QTc-Prolonging Agents QTc Prolonging Agents
Cross-references: BindingDB: 50062614 ChEBI: 7789 CHEMBL900 ChemSpider: 4440 Drugs Product Database (DPD): 10058 C07935 D08305 PharmGKB: PA450715 PubChem:4601 PubChem:46506085 RxCUI: 7715 Therapeutic Targets Database: DAP000858 Wikipedia: Orphenadrine
Target Activities (14)
Target Gene Organism Category Pfam pChEMBL Type Source
P08912 CHRM5 Homo sapiens Human PF00001 7.5 Ki ChEMBL;BindingDB
P11229 CHRM1 Homo sapiens Human PF00001 7.3 Ki ChEMBL;BindingDB
P20309 CHRM3 Homo sapiens Human PF00001 6.9 Ki ChEMBL;BindingDB
P08173 CHRM4 Homo sapiens Human PF00001 6.9 Ki ChEMBL;BindingDB
P35367 HRH1 Homo sapiens Human PF00001 6.8 Ki ChEMBL
P08172 CHRM2 Homo sapiens Human PF00001 6.7 Ki ChEMBL;BindingDB
P28223 HTR2A Homo sapiens Human PF00001 6.6 IC50 ChEMBL
P31645 SLC6A4 Homo sapiens Human PF03491 PF00209 6.5 IC50 ChEMBL
P28335 HTR2C Homo sapiens Human PF00001 6.4 IC50 ChEMBL
P10635 CYP2D6 Homo sapiens Human PF00067 6.4 IC50 ChEMBL
P50406 HTR6 Homo sapiens Human PF00001 6.3 Ki ChEMBL
P08913 ADRA2A Homo sapiens Human PF00001 6.1 Ki ChEMBL
Q12809 KCNH2 Homo sapiens Human PF00027 PF00520 PF13426 6.1 IC50 ChEMBL;BindingDB
P18089 ADRA2B Homo sapiens Human PF00001 6.1 Ki ChEMBL
DrugBank Target Actions (15)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P02768 ALB Albumin regulator carriers
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P05181 CYP2E1 Cytochrome P450 2E1 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
O15399 GRIN2D Glutamate receptor ionotropic, NMDA 2D antagonist targets
O60391 GRIN3B Glutamate receptor ionotropic, NMDA 3B antagonist targets
P35367 HRH1 Histamine H1 receptor antagonist targets
Q05586 GRIN1 Glutamate receptor ionotropic, NMDA 1 antagonist targets
Q8TCU5 GRIN3A Glutamate receptor ionotropic, NMDA 3A antagonist targets
P23975 SLC6A2 Sodium-dependent noradrenaline transporter inhibitor targets
Q9Y5Y9 SCN10A Sodium channel protein type 10 subunit alpha inhibitor targets