mesulergine


SMILES CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C
InChIKey JLVHTNZNKOSCNB-YSVLISHTSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 362.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT1A 5-HT2A 5-HT2C

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 8.74 8.74 8.74 Guide to Pharmacology
D1 DRD1 Rat Dopamine A pKi 7.52 7.52 7.52 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.68 7.68 7.68 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.81 5.81 5.81 ChEMBL
D1 DRD1 Pig Dopamine A pKi 8.41 8.41 8.41 ChEMBL
D2 DRD2 Rat Dopamine A pKi 5.75 5.75 5.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Goldfish Dopamine A pEC50 8.09 8.09 8.09 ChEMBL
D1 DRD1 Rat Dopamine A pEC50 8.29 8.29 8.29 ChEMBL
D1 DRD1 Human Dopamine A pEC50 8.52 8.52 8.52 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.5 4.5 4.5 ChEMBL