Molecule Details
InChIKeySRPXSILJHWNFMK-ZBEGNZNMSA-N
Compound NameDesmethylsertraline
Canonical SMILESN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.19
SourceBindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB14071
Drug NameDesmethylsertraline
CAS Number87857-41-8
Groups experimental
ATC Codes nan
DescriptionDesmethylsertraline is a metabolite of sertraline.
Categories: Agents that reduce seizure threshold Amines Naphthalenes P-glycoprotein inhibitors
Cross-references: BindingDB: 50367182 CHEMBL40733 ChemSpider: 102729 Wikipedia: Desmethylsertraline ZINC: ZINC000006117444
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P31645 SLC6A4 Homo sapiens Human PF03491 PF00209 8.4 Ki BindingDB
Q01959 SLC6A3 Homo sapiens Human PF00209 6.9 Ki BindingDB
P23975 SLC6A2 Homo sapiens Human PF00209 6.2 Ki BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor targets