Molecule Details
InChIKeyVGKDLMBJGBXTGI-SJCJKPOMSA-N
Compound NameSertraline
Canonical SMILESCN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)15
Pfam Stratification Cross-Family
Avg pChEMBL6.7
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01104
Drug NameSertraline
CAS Number79617-96-2
Groups approved investigational
ATC Codes N06AB06
DescriptionSertraline is a popular antidepressant medication commonly known as a selective serotonin reuptake inhibitor (SSRI), and is similar to drugs such as [Citalopram] and [Fluoxetine]. Despite marked structural differences between compounds in this drug class, SSRIs exert similar pharmacological effects....

Categories: Agents that reduce seizure threshold Amines Antidepressive Agents Antidepressive Agents Indicated for Depression Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (moderate) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Hypoglycemia-Associated Agents Membrane Transport Modulators Monoamine Oxidase A Substrates Naphthalenes Nervous System Neurotransmitter Agents Neurotransmitter Uptake Inhibitors P-glycoprotein inhibitors Photosensitizing Agents Psychoanaleptics Psychotropic Drugs QTc Prolonging Agents Selective Serotonin Reuptake Inhibitors Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin Agents Serotonin Modulators
Cross-references: BindingDB: 86421 ChEBI: 9123 CHEMBL809 ChemSpider: 61881 Drugs Product Database (DPD): 11168 C07246 D02360 PDB: SRE PharmGKB: PA451333 PubChem:68617 PubChem:46505341 RxCUI: 36437 Therapeutic Targets Database: DAP000051 Wikipedia: Sertraline ZINC: ZINC000001853550
Target Activities (15)
Target Gene Organism Category Pfam pChEMBL Type Source
P31645 SLC6A4 Homo sapiens Human PF03491 PF00209 9.5 IC50 ChEMBL;BindingDB
Q01959 SLC6A3 Homo sapiens Human PF00209 7.5 IC50 ChEMBL;BindingDB
Q99720 SIGMAR1 Homo sapiens Human PF04622 7.2 Ki ChEMBL;BindingDB
P18089 ADRA2B Homo sapiens Human PF00001 6.9 IC50 ChEMBL
P08913 ADRA2A Homo sapiens Human PF00001 6.8 IC50 ChEMBL
P11229 CHRM1 Homo sapiens Human PF00001 6.5 Ki ChEMBL
P33261 CYP2C19 Homo sapiens Human PF00067 6.5 IC50 ChEMBL;BindingDB
P08173 CHRM4 Homo sapiens Human PF00001 6.4 Ki ChEMBL
P08912 CHRM5 Homo sapiens Human PF00001 6.4 IC50 ChEMBL
P28335 HTR2C Homo sapiens Human PF00001 6.2 Ki ChEMBL
P18825 ADRA2C Homo sapiens Human PF00001 6.2 Ki ChEMBL
P28223 HTR2A Homo sapiens Human PF00001 6.1 Ki ChEMBL
P08684 CYP3A4 Homo sapiens Human PF00067 6.1 IC50 ChEMBL;BindingDB
P23975 SLC6A2 Homo sapiens Human PF00209 6.1 IC50 ChEMBL;BindingDB
P08172 CHRM2 Homo sapiens Human PF00001 6.0 Ki ChEMBL
DrugBank Target Actions (26)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
Q14097 Q14097 Cytochrome P450 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P05181 CYP2E1 Cytochrome P450 2E1 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P20813 CYP2B6 Cytochrome P450 2B6 substrate enzymes
P21397 MAOA Amine oxidase [flavin-containing] A substrate enzymes
P27338 MAOB Amine oxidase [flavin-containing] B substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
O00264 PGRMC1 Sigma receptor binder targets
P31645 SLC6A4 Sodium-dependent serotonin transporter binder targets
Q01959 SLC6A3 Sodium-dependent dopamine transporter binder targets
P23975 SLC6A2 Sodium-dependent noradrenaline transporter downregulator targets
P31645 SLC6A4 Sodium-dependent serotonin transporter downregulator targets
O00264 PGRMC1 Sigma receptor inhibitor targets
P23975 SLC6A2 Sodium-dependent noradrenaline transporter inhibitor targets
P31645 SLC6A4 Sodium-dependent serotonin transporter inhibitor targets
Q01959 SLC6A3 Sodium-dependent dopamine transporter inhibitor targets
Q7RTT9 Q7RTT9 Equilibrative nucleoside transporter 4 inhibitor targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters