GPCRdb

(hydroxymethylphenyl)agomelatine

Agent/drug
Bioactivity

(hydroxymethylphenyl)agomelatine

SMILES	COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(C)=O)c2c1
InChIKey	BHDVJMSEODZSTD-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	6
Molecular weight (Da)	349.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pKi	6.56	6.56	6.56	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	9.40	9.40	9.40	Guide to Pharmacology
MT₂	MTR1B	Human	Melatonin	A	pKi	9.44	9.44	9.44	PDSP Ki database
MT₂	MTR1B	Human	Melatonin	A	pKi	9.44	9.44	9.44	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₂	MTR1B	Human	Melatonin	A	pEC50	9.12	9.12	9.12	ChEMBL

Showing 1 to 1 of 1 entry

(hydroxymethylphenyl)agomelatine

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 GPCRdb

Compound is not listed as a drug.