LASMIDITAN

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 760I9WM792
EPA CompTox DTXSID40469435

Structure

InChI Key XEDHVZKDSYZQBF-UHFFFAOYSA-N
Smiles CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18F3N3O2
Molecular Weight 377.37
AlogP 3.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 62.3
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1f (5-HT1f) receptor agonist AGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 87.84 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 87.84 - - -

Target Conservation

Protein: Serotonin 1f (5-HT1f) receptor
Description: 5-hydroxytryptamine receptor 1F
Organism : Homo sapiens
P30939 ENSG00000179097

Cross References

Resources Reference
ChEMBL CHEMBL3039520
DrugBank DB11732
DrugCentral 5351
FDA SRS 760I9WM792
Guide to Pharmacology 3928
PDB 05X
PubChem 11610526
SureChEMBL SCHEMBL536057
ZINC ZINC000003818355
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