ArrestinDb

CHEMBL4281712

Agent/drug
Bioactivity

CHEMBL4281712

SMILES	COc1ccc2ccc3c(c2n1)C(CNC(C)=O)CC3
InChIKey	VRXWYUUUGIBVNR-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	3
Molecular weight (Da)	270.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.80	6.80	6.80	ChEMBL
MT₁	MTR1A	Human	Melatonin	A	pKi	9.40	9.40	9.40	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	9.70	9.70	9.70	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pEC50	10.30	10.30	10.30	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4281712

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.