METHERGINE
SMILES | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O |
InChIKey | NOFOWWRHEPHDCY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 5 |
Rotatable bonds | 6 |
Molecular weight (Da) | 455.2 |
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-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.36 | 7.36 | 7.36 | PDSP Ki database |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 7.33 | 7.56 | 7.69 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.76 | 8.82 | PDSP Ki database |
5-HT1A | A0A4X1UTF5 | Pig | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.4 | 8.4 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.96 | 8.96 | 8.96 | PDSP Ki database |
5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKi | 8.85 | 8.85 | 8.85 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |