GPCRdb

CHEMBL98836

Agent/drug
Bioactivity

CHEMBL98836

SMILES	CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@@H]21
InChIKey	OMQYELRKBALQJF-GXTWGEPZSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	2
Molecular weight (Da)	265.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pKi	7.13	7.13	7.13	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.45	8.45	8.45	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.71	6.71	6.71	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Rat	Dopamine	A	pEC50	6.91	6.91	6.91	ChEMBL
D₃	DRD3	Rat	Dopamine	A	pEC50	7.44	7.44	7.44	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL98836

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.