Molecule Details
InChIKeyWFPUBEDBBOGGIQ-UHFFFAOYSA-N
Compound Name7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
Canonical SMILESClc1ccc2c(c1Cl)CNCC2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.89
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08550
Drug Name7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
CAS Number61563-24-4
Groups experimental
ATC Codes nan
DescriptionPotent reversible inhibitor of phenylethanolamine N-methyltransferase.

Categories: Antidepressive Agents Central Nervous System Depressants Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Isoquinolines Monoamine Oxidase Inhibitors Phenylethanolamine N-Methyltransferase, antagonists & inhibitors Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome
Cross-references: BindingDB: 13014 ChEBI: 160129 CHEMBL287837 ChemSpider: 110451 PDB: SKA PubChem:123920 PubChem:99445021 ZINC: ZINC000024714117
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P11086 PNMT Homo sapiens Human PF01234 8.5 Ki ChEMBL;BindingDB
P08913 ADRA2A Homo sapiens Human PF00001 7.7 Ki ChEMBL
P18089 ADRA2B Homo sapiens Human PF00001 7.7 Ki ChEMBL
P18825 ADRA2C Homo sapiens Human PF00001 7.7 Ki ChEMBL
DrugBank Target Actions (4)
Target Gene Target Name Action Type
P11086 PNMT Phenylethanolamine N-methyltransferase binder targets
P08913 ADRA2A Alpha-2A adrenergic receptor inhibitor targets
P18089 ADRA2B Alpha-2B adrenergic receptor inhibitor targets
P18825 ADRA2C Alpha-2C adrenergic receptor inhibitor targets