Molecule Details
InChIKeyCBQGYUDMJHNJBX-OALUTQOASA-N
Compound NameEsreboxetine
Canonical SMILESCCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.13
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12395
Drug NameEsreboxetine
CAS Number98819-76-2
Groups investigational
ATC Codes nan
DescriptionEsreboxetine has been used in trials studying the treatment and basic science of Fibromyalgia.
Categories: Adrenergic Uptake Inhibitors Antidepressive Agents Central Nervous System Depressants Oxazines
Cross-references: BindingDB: 35226 ChEBI: 125535 CHEMBL180101 ChemSpider: 59268 PDB: A1D9Y PharmGKB: PA144614921 PubChem:65856 PubChem:347828642 Wikipedia: Esreboxetine ZINC: ZINC000000006923
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P23975 SLC6A2 Homo sapiens Human PF00209 8.7 Ki ChEMBL;BindingDB
P31645 SLC6A4 Homo sapiens Human PF03491 PF00209 6.4 Ki ChEMBL;BindingDB
P28335 HTR2C Homo sapiens Human PF00001 6.3 Ki BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P23975 SLC6A2 Sodium-dependent noradrenaline transporter blocker targets