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 |