GPCRdb

sumatriptan

Agent/drug
Bioactivity

sumatriptan

SMILES	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIKey	KQKPFRSPSRPDEB-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	6
Molecular weight (Da)	295.1

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Ligand site mutations	5-HT_1B 5-HT_1D

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.00	6.00	6.00	Guide to Pharmacology
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	6.34	6.34	6.34	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.36	6.45	6.64	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKd	6.40	6.40	6.40	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	6.13	6.56	7.00	PDSP Ki database
5-HT_1A	A0A4X1UTF5	Pig	5-Hydroxytryptamine	A	pKi	6.13	6.13	6.13	PDSP Ki database
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	5.99	6.39	6.59	PDSP Ki database
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.18	8.18	8.18	Drug Central
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	6.50	7.30	8.10	Guide to Pharmacology
5-HT_1B	5HT1B	Western lowland gorilla	5-Hydroxytryptamine	A	pKi	8.19	8.19	8.19	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	7.64	7.87	8.09	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	7.32	7.92	9.30	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	6.33	6.78	7.40	PDSP Ki database
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	7.21	8.04	8.92	PDSP Ki database
5-HT_1B	5HT1B	Guinea pig	5-Hydroxytryptamine	A	pKi	6.76	6.76	6.76	PDSP Ki database
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	8.08	8.08	8.08	Drug Central
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	8.12	8.12	8.12	Drug Central
5-HT_1B	5HT1B	Western lowland gorilla	5-Hydroxytryptamine	A	pKi	8.09	8.09	8.09	Drug Central
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	7.52	8.27	9.30	ChEMBL
5-HT_1D	F1MMU1	Bovine	5-Hydroxytryptamine	A	pKi	6.90	7.44	7.77	PDSP Ki database

Showing 1 to 20 of 63 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Mouse	5-Hydroxytryptamine	A	pIC50	6.35	6.35	6.35	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pEC50	5.89	5.89	5.89	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	6.09	6.14	6.19	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pIC50	6.30	6.37	6.40	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	8.21	8.21	8.21	Drug Central
5-HT_1A	5HT1A	Mouse	5-Hydroxytryptamine	A	pIC50	8.20	8.20	8.20	Drug Central
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pIC50	6.96	7.36	7.75	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pIC50	7.57	8.06	9.30	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pEC50	7.11	7.27	7.42	ChEMBL
5-HT_1D	5HT1D	Rat	5-Hydroxytryptamine	A	pEC50	7.01	7.01	7.01	ChEMBL
5-HT_1D	5HT1D	Rat	5-Hydroxytryptamine	A	pIC50	7.21	7.21	7.21	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pIC50	5.62	7.74	8.53	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pEC50	6.66	7.78	8.37	ChEMBL
5-HT_1D	5HT1D	Rat	5-Hydroxytryptamine	A	pIC50	8.14	8.14	8.14	Drug Central
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pIC50	5.26	5.26	5.26	ChEMBL
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pIC50	8.28	8.28	8.28	Drug Central
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pIC50	7.20	7.20	7.20	Guide to Pharmacology
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pEC50	7.46	7.46	7.46	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	5.10	5.10	5.10	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	5.10	6.62	8.14	ChEMBL

Showing 1 to 20 of 23 entries

sumatriptan

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved Yes

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Ligand site mutations	5-HT_1B 5-HT_1D

Sankey plot

Drug Information

Search:

Target					Disease				Phase

Gene	Protein	Receptor family	Ligand type	Class	Indication name	ICD11	ATC	Association score	Phase	Approved

5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine, unspecified	8A80.Z	N02C, G01A	0.374	4	Yes
5HT1B	5-HT_1B receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine with aura, unspecified	8A80.1Z	N02C, G01A	0.501	4	Yes
5HT1B	5-HT_1B receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine without aura	8A80.0	N02C, G01A	0.497	4	Yes
5HT1B	5-HT_1B receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine, unspecified	8A80.Z	N02C, G01A	0.611	4	Yes
5HT1D	5-HT_1D receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine with aura, unspecified	8A80.1Z	N02C, G01A	0.513	4	Yes
5HT1D	5-HT_1D receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine without aura	8A80.0	N02C, G01A	0.510	4	Yes
5HT1D	5-HT_1D receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine, unspecified	8A80.Z	N02C, G01A	0.609	4	Yes
5HT1F	5-HT_1F receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine with aura, unspecified	8A80.1Z	N02C, G01A	0.434	4	Yes
5HT1F	5-HT_1F receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine without aura	8A80.0	N02C, G01A	0.434	4	Yes
5HT1F	5-HT_1F receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Migraine, unspecified	8A80.Z	N02C, G01A	0.599	4	Yes

Showing 1 to 10 of 10 entries