GPCRdb

CHEMBL3800303

Agent/drug
Bioactivity

CHEMBL3800303

SMILES	COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
InChIKey	PGSGTPNUOJTSEM-DEOSSOPVSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	4
Rotatable bonds	12
Molecular weight (Da)	437.2

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	7.07	7.07	7.07	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	7.75	7.75	7.75	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.37	6.37	6.37	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.96	7.06	7.17	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.21	7.21	7.21	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.85	6.85	6.85	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pEC50	5.70	6.05	6.30	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pEC50	5.29	6.28	7.00	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	6.70	6.70	6.70	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL3800303

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.