GproteinDb

methiothepin

Agent/drug
Bioactivity

methiothepin

SMILES	CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2
InChIKey	RLJFTICUTYVZDG-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	0
Rotatable bonds	2
Molecular weight (Da)	356.1

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids PubChem GPCRdb
Ligand site mutations	5-HT_1B 5-HT_2A

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	Q9TSW7	Pig	Adrenoceptors	A	pKi	8.10	9.20	10.20	PDSP Ki database
α_1B	A0A4X1U0M4	Pig	Adrenoceptors	A	pKi	9.30	9.30	9.30	PDSP Ki database
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	7.80	7.95	8.10	Guide to Pharmacology
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.20	7.98	8.66	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	5.94	7.13	8.06	PDSP Ki database
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.09	7.44	8.40	PDSP Ki database
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	7.10	7.80	8.50	Guide to Pharmacology
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	7.40	8.41	9.72	PDSP Ki database
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	7.00	7.40	7.98	PDSP Ki database
5-HT_1B	5HT1B	Guinea pig	5-Hydroxytryptamine	A	pKi	7.96	7.96	7.96	PDSP Ki database
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	7.30	7.75	8.20	Guide to Pharmacology
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	6.77	7.85	8.24	PDSP Ki database
5-HT_1D	F1MMU1	Bovine	5-Hydroxytryptamine	A	pKi	6.25	6.76	7.44	PDSP Ki database
5-HT_1D	5HT1D	Rat	5-Hydroxytryptamine	A	pKi	9.22	9.23	9.24	PDSP Ki database
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	6.70	6.85	7.00	Guide to Pharmacology
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	6.68	6.75	6.92	PDSP Ki database
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pKi	6.20	6.20	6.20	Guide to Pharmacology
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pKi	6.19	6.19	6.19	PDSP Ki database
5-HT_1F	5HT1F	Rat	5-Hydroxytryptamine	A	pKi	6.00	6.00	6.00	PDSP Ki database
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	8.50	8.50	8.50	Guide to Pharmacology

Showing 1 to 20 of 58 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pIC50	7.15	7.15	7.15	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	7.25	7.25	7.25	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pEC50	9.42	9.42	9.42	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pIC50	6.90	8.03	8.62	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pEC50	9.22	9.22	9.22	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pIC50	7.68	8.41	9.09	ChEMBL
NPS	NPSR1	Human	Neuropeptide S	A	Potency	4.60	4.60	4.60	ChEMBL
US28	US28	strain AD169	Unclassified	A	pEC50	6.45	6.46	6.46	ChEMBL

Showing 1 to 8 of 8 entries

methiothepin

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 0

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids PubChem GPCRdb
Ligand site mutations	5-HT_1B 5-HT_2A

Compound is not listed as a drug.