Biased Signaling Atlas

agomelatine

Agent/drug
Bioactivity

agomelatine

SMILES	COc1ccc2cccc(CCNC(C)=O)c2c1
InChIKey	YJYPHIXNFHFHND-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	243.1

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Structure pdb	6ME5

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.40	5.40	5.40	Guide to Pharmacology
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.35	5.35	5.35	PDSP Ki database
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	8.27	8.27	8.27	Drug Central
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	6.60	6.60	6.60	Guide to Pharmacology
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	6.59	6.59	6.59	PDSP Ki database
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.18	8.18	8.18	Drug Central
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.20	6.20	6.20	Guide to Pharmacology
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.15	6.27	6.39	PDSP Ki database
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	8.21	8.21	8.21	Drug Central
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.15	6.16	6.20	ChEMBL
MT₁	MTR1A	Human	Melatonin	A	pKi	9.74	9.99	10.22	ChEMBL
MT₁	MTR1A	Human	Melatonin	A	pKi	9.07	9.54	10.40	PDSP Ki database
MT₁	MTR1A	Human	Melatonin	A	pKi	7.99	7.99	7.99	Drug Central
MT₁	MTR1A	Human	Melatonin	A	pKi	10.00	10.20	10.40	Guide to Pharmacology
MT₂	MTR1B	Human	Melatonin	A	pKi	9.90	10.20	10.50	Guide to Pharmacology
MT₂	MTR1B	Human	Melatonin	A	pKi	9.35	9.63	10.00	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	9.57	9.99	10.52	PDSP Ki database
MT₂	MTR1B	Human	Melatonin	A	pKi	8.00	8.00	8.00	Drug Central

Showing 1 to 18 of 18 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pEC50	4.58	8.41	9.70	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pEC50	4.05	9.23	10.16	ChEMBL

Showing 1 to 2 of 2 entries

agomelatine

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Distribution across phases (no. indications)

Phase I 0

Phase II 3

Phase III 3

Phase IV 6

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Structure pdb	6ME5

Sankey plot

Drug Information

Search:

Target					Disease

Gene	Protein	Receptor family	Ligand type	Class	Name	Phase	ICD11	ATC	Association score

5HT2C	5-HT_2C receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Anxiety	3	MB24.3	N06A	0.557
5HT2C	5-HT_2C receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Depressive disorders, unspecified	4	6A7Z	N06A	0.604
5HT2C	5-HT_2C receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Obsessive-compulsive disorder, unspecified	2	6B20.Z	N06A	0.539
5HT2C	5-HT_2C receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Single episode depressive disorder, severe, without psychotic symptoms	4	6A70.3	N06A	0.602
MTR1A	MT₁ receptor	Melatonin	Melatonin receptors	A	Anxiety	3	MB24.3	N06A	0.531
MTR1A	MT₁ receptor	Melatonin	Melatonin receptors	A	Depressive disorders, unspecified	4	6A7Z	N06A	0.416
MTR1A	MT₁ receptor	Melatonin	Melatonin receptors	A	Obsessive-compulsive disorder, unspecified	2	6B20.Z	N06A	0.074
MTR1A	MT₁ receptor	Melatonin	Melatonin receptors	A	Single episode depressive disorder, severe, without psychotic symptoms	4	6A70.3	N06A	0.554
MTR1B	MT₂ receptor	Melatonin	Melatonin receptors	A	Anxiety	3	MB24.3	N06A	0.536
MTR1B	MT₂ receptor	Melatonin	Melatonin receptors	A	Depressive disorders, unspecified	4	6A7Z	N06A	0.415
MTR1B	MT₂ receptor	Melatonin	Melatonin receptors	A	Obsessive-compulsive disorder, unspecified	2	6B20.Z	N06A	0.074
MTR1B	MT₂ receptor	Melatonin	Melatonin receptors	A	Single episode depressive disorder, severe, without psychotic symptoms	4	6A70.3	N06A	0.555

Showing 1 to 12 of 12 entries