GPCRdb

CHEMBL96778

Agent/drug
Bioactivity

CHEMBL96778

SMILES	CCc1ccc2oc(Cc3cccc(OC)c3)c(CCNC(C)=O)c2c1
InChIKey	XAAPVWYAMTXQIO-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	351.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pKi	6.54	6.54	6.54	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	7.77	7.77	7.77	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₂	MTR1B	Human	Melatonin	A	pEC50	7.72	7.72	7.72	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL96778

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

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.