GPCRdb

CHEMBL3580919

Agent/drug
Bioactivity

CHEMBL3580919

SMILES	COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1
InChIKey	RRCYFTXMWOJGMP-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	259.1

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	7.46	7.46	7.46	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	8.40	8.40	8.40	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	6.49	6.91	7.32	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pEC50	7.54	7.90	8.26	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL3580919

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.