GPCRdb

CHEMBL5408223

Agent/drug
Bioactivity

CHEMBL5408223

SMILES	CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)COC)CC3)CC2)c1Cl
InChIKey	YFCLKFMYEUGDOO-KESTWPANSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	421.3

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	8.11	8.11	8.11	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.68	7.68	7.68	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.77	8.77	8.77	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	7.47	7.47	7.47	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.17	5.17	5.17	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.75	8.75	8.75	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	9.60	9.60	9.60	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.47	6.47	6.47	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	8.22	8.22	8.22	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	8.73	8.73	8.73	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL5408223

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.