GPCRdb

CHEMBL582945

Agent/drug
Bioactivity

CHEMBL582945

SMILES	COc1ccccc1N1CCN(CCCn2cc(CCCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1
InChIKey	JQGRSOUGXXQUQI-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	2
Rotatable bonds	12
Molecular weight (Da)	624.4

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_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.88	6.88	6.88	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.84	6.84	6.84	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.10	7.10	7.10	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	6.70	6.70	6.70	ChEMBL
D₁	DRD1	Human	Dopamine	A	pIC50	4.49	4.49	4.49	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	5.80	5.80	5.80	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL582945

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.