GPCRdb

CHEMBL3800400

Agent/drug
Bioactivity

CHEMBL3800400

SMILES	COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
InChIKey	PNROEQYQIZJINW-VWLOTQADSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	4
Rotatable bonds	12
Molecular weight (Da)	488.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Mouse	Adrenoceptors	A	pKi	8.24	8.24	8.24	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	9.32	9.32	9.32	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	4.96	4.96	4.96	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.24	5.37	5.50	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.77	5.77	5.77	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	5.48	5.48	5.48	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₂	ADRB2	Human	Adrenoceptors	A	pEC50	7.66	7.94	8.21	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3800400

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.