ArrestinDb

CHEMBL15060

Agent/drug
Bioactivity

CHEMBL15060

SMILES	COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1
InChIKey	OFCLARYYBGKCHN-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	2
Rotatable bonds	5
Molecular weight (Da)	308.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	6ME3 6ME8 6ME6 6ME7 6PS8

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pKi	10.66	10.66	10.66	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	10.42	10.42	10.42	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pEC50	4.78	4.78	4.78	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pEC50	5.16	5.16	5.16	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL15060

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
Structure pdb	6ME3 6ME8 6ME6 6ME7 6PS8

Compound is not listed as a drug.