avitriptan
SMILES | COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC |
InChIKey | WRZVGHXUPBWIOO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 458.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.68 | 7.68 | 7.68 | Guide to Pharmacology |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.36 | 8.36 | 8.36 | Guide to Pharmacology |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.44 | 7.44 | 7.44 | Guide to Pharmacology |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.15 | 7.15 | 7.15 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |