RIZATRIPTAN

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Synonyms
Status
Molecule Category Free-form
ATC N02CC04
UNII 51086HBW8G
EPA CompTox DTXSID2023565

Structure

InChI Key ULFRLSNUDGIQQP-UHFFFAOYSA-N
Smiles CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
InChI
InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H19N5
Molecular Weight 269.35
AlogP 1.91
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 49.74
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor
- - - - 27
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
3-8.4 11-398.11 - 4.3-293 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 293 27-52
Oryctolagus cuniculus
251.19 - - - -
Sus scrofa
- 316.23 - - -

Cross References

Resources Reference
ChEBI 48273
ChEMBL CHEMBL905
DrugBank DB00953
DrugCentral 2393
FDA SRS 51086HBW8G
Human Metabolome Database HMDB0015088
Guide to Pharmacology 51
PharmGKB PA451264
PubChem 5078
SureChEMBL SCHEMBL26662
ZINC ZINC000000005895
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