GPCRdb

CHEMBL3139554

Agent/drug
Bioactivity

CHEMBL3139554

SMILES	Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2
InChIKey	XLHGDHLCZBHDRQ-MRXNPFEDSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	395.0

Database connections

ChEMBL_compound_ids 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	5.37	5.39	5.41	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.14	7.89	8.99	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.10	8.32	8.54	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	9.01	9.02	9.02	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	5.33	5.33	5.34	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	10.50	10.50	10.50	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3139554

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.