METHYLERGONOVINE
SMILES | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C |
InChIKey | UNBRKDKAWYKMIV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 339.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.65 | 9.1 | 9.34 | PDSP Ki database |
5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.28 | 7.62 | 7.96 | PDSP Ki database |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 7.05 | 7.05 | 7.05 | PDSP Ki database |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 7.51 | 7.51 | 7.51 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.9 | 7.9 | 7.9 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 7.91 | 7.91 | 7.91 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.45 | 9.45 | 9.45 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.34 | 8.34 | 8.34 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |