Molecule Details
| InChIKey | XEDHVZKDSYZQBF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Lasmiditan |
| Canonical SMILES | CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11732 |
|---|---|
| Drug Name | Lasmiditan |
| CAS Number | 439239-90-4 |
| Groups | approved investigational |
| ATC Codes | N02CC08 |
| Description | Lasmiditan is an oral medication used in the termination of migraine headaches that was first approved for use in the United States in October 2019.[L9338,L9356] It was also approved by the European Commission on August 17, 2022.[L43997] Traditionally, the triptan class of anti-migraine medications ... |
Categories: Amides Analgesics Antidepressive Agents Antimigraine Preparations BCRP/ABCG2 Inhibitors Central Nervous System Depressants Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors MATE 1 Inhibitors MATE 2 Inhibitors MATE inhibitors Nervous System Neurotransmitter Agents OCT1 inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin (5-HT) 1F Receptor Agonists Serotonin Agents
Cross-references: CHEMBL3039520 ChemSpider: 9785281 PDB: 05X PubChem:11610526 PubChem:347828091 RxCUI: 2256930 Wikipedia: Lasmiditan ZINC: ZINC000003818355
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30939 | HTR1F | Homo sapiens | Human | PF00001 | 7.9 | IC50 | ChEMBL;BindingDB |
| P28566 | HTR1E | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.7 | Ki | ChEMBL |
| P21918 | DRD5 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P30939 | HTR1F | 5-hydroxytryptamine receptor 1F | agonist | targets |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q86VL8 | SLC47A2 | Multidrug and toxin extrusion protein 2 | inhibitor | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |