xanomeline
SMILES | CCCCCCOc1nsnc1C1=CCCN(C1)C |
InChIKey | JOLJIIDDOBNFHW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 281.2 |
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 |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.67 | 8.0 | ChEMBL |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |