sumatriptan


SMILES CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2
InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 295.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pKi 5.8 6.3 6.8 Guide to Pharmacology
CB1 CNR1 Rat Cannabinoid A pKi 6.3 6.75 7.2 Guide to Pharmacology
CB1 CNR1 Human Cannabinoid A pKi 6.0 6.25 6.33 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 5.85 5.86 5.89 ChEMBL
CB1 CNR1 Rat Cannabinoid A pKi 6.33 6.55 7.0 ChEMBL
CB2 CNR2 Rat Cannabinoid A pKi 7.0 7.0 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 8.52 8.52 8.52 Guide to Pharmacology
CB1 CNR1 Human Cannabinoid A pEC50 7.64 7.64 7.64 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 7.77 7.77 7.77 ChEMBL
CB1 CNR1 Rat Cannabinoid A pEC50 6.0 6.0 6.0 ChEMBL