GPCRdb

CHEMBL5412606

Agent/drug
Bioactivity

CHEMBL5412606

SMILES	CN(C)C(=O)C(CCN1C[C@H](F)C[C@H]1C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)n2)CC1)(c1ccccc1)c1ccccc1
InChIKey	LKUILOJELWBGMK-JSOSNVBQSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	13
Molecular weight (Da)	682.4

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pKi	6.72	6.72	6.72	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.70	5.70	5.70	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.06	7.06	7.06	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Mouse	Opioid	A	pEC50	5.24	5.59	5.94	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	6.50	6.50	6.50	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	6.50	6.50	6.50	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL5412606

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.