lasmiditan   Click here for help

GtoPdb Ligand ID: 3928

Synonyms: COL-144 | LY573144 | Reyvow®
Approved drug PDB Ligand
lasmiditan is an approved drug (FDA (2019))
Compound class: Synthetic organic
Comment: Lasmiditan is a potent and selective 5-HT1F receptor agonist that was developed by Eli Lilly [2], as an alternative to triptan drugs for the treatment of migraine. 5-HT1F selectivity is reported to eliminate the vasoconstrictor properties of triptans (mediated via 5-HT1B/1D receptor agonism) that contraindicate their use in patients with coronary artery disease [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 62.3
Molecular weight 377.14
XLogP 2.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F
Isomeric SMILES CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F
InChI InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)
InChI Key XEDHVZKDSYZQBF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2019))
IUPAC Name Click here for help
2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide
International Nonproprietary Names Click here for help
INN number INN
9176 lasmiditan
Synonyms Click here for help
COL-144 | LY573144 | Reyvow®
Database Links Click here for help
CAS Registry No. 439239-90-4 (source: Scifinder)
ChEMBL Ligand CHEMBL3039520
DrugCentral Ligand 5351
GtoPdb PubChem SID 178100757
PubChem CID 11610526
RCSB PDB Ligand 05X
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Wikipedia Lasmiditan