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 K7GSR7 Pig 5-Hydroxytryptamine A pKi 7.33 7.56 7.69 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.36 7.36 7.36 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 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-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