GPCRdb

CHEMBL3344459

Agent/drug
Bioactivity

CHEMBL3344459

SMILES	COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)C)cc3CN1CC2
InChIKey	IRECDGNNIQNOJK-KRWDZBQOSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	3
Molecular weight (Da)	343.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₁	DRD1	Human	Dopamine	A	pKi	6.89	6.89	6.89	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.12	8.12	8.12	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.70	7.70	7.70	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	6.23	6.23	6.23	ChEMBL
D₁	DRD1	Human	Dopamine	A	pIC50	5.70	5.70	5.70	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	6.80	6.80	6.80	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL3344459

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.