GPCRdb

S24773

Agent/drug
Bioactivity

S24773

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

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	5
Molecular weight (Da)	334.2

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	7.10	7.10	7.10	Guide to Pharmacology
MT₁	MTR1A	Human	Melatonin	A	pKi	7.09	7.09	7.09	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	9.30	9.45	9.60	Guide to Pharmacology
MT₂	MTR1B	Human	Melatonin	A	pKi	9.57	9.57	9.57	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	9.57	9.57	9.57	PDSP Ki database

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₂	MTR1B	Human	Melatonin	A	pEC50	8.89	8.89	8.89	ChEMBL

Showing 1 to 1 of 1 entry

S24773

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

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Compound is not listed as a drug.