GPCRdb

mesulergine

Agent/drug
Bioactivity

mesulergine

SMILES	CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
InChIKey	JLVHTNZNKOSCNB-YSVLISHTSA-N

Chemical Properties

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

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Ligand site mutations	5-HT_1A 5-HT_2A 5-HT_2C

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	6.52	6.52	6.52	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKd	6.80	6.80	6.80	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.40	6.61	6.71	PDSP Ki database
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	6.26	6.32	6.39	PDSP Ki database
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	4.89	4.89	4.89	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	5.00	5.00	5.00	PDSP Ki database
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	5.89	6.09	6.20	PDSP Ki database
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	5.00	5.33	5.77	PDSP Ki database
5-HT_1D	5HT1D	Rat	5-Hydroxytryptamine	A	pKi	5.48	6.02	7.04	PDSP Ki database
5-HT_1D	F1MMU1	Bovine	5-Hydroxytryptamine	A	pKi	5.19	5.20	5.20	PDSP Ki database
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pKi	5.00	5.00	5.00	PDSP Ki database
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.00	7.25	7.50	Guide to Pharmacology
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.82	7.37	8.08	PDSP Ki database
5-HT_2A	5HT2A	Pig	5-Hydroxytryptamine	A	pKi	6.96	6.96	6.96	PDSP Ki database
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.70	7.70	7.70	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.50	8.65	8.80	Guide to Pharmacology
5-HT_2B	5HT2B	Rat	5-Hydroxytryptamine	A	pKi	7.40	7.40	7.40	Guide to Pharmacology
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.55	8.62	8.70	ChEMBL
5-HT_2B	F6QI78	Bovine	5-Hydroxytryptamine	A	pKi	8.10	8.10	8.10	PDSP Ki database
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.44	8.61	8.84	PDSP Ki database

Showing 1 to 20 of 44 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pIC50	8.28	8.28	8.28	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	8.72	8.72	8.72	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pIC50	6.54	6.73	6.92	ChEMBL

Showing 1 to 3 of 3 entries

mesulergine

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Ligand site mutations	5-HT_1A 5-HT_2A 5-HT_2C

Compound is not listed as a drug.