GPCRdb

CHEMBL5434229

Agent/drug
Bioactivity

CHEMBL5434229

SMILES	COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1
InChIKey	UUBRCCCOMNXSPK-IYARVYRRSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	442.3

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	8.02	8.02	8.02	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.36	5.36	5.36	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.95	7.95	7.95	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	5.50	5.50	5.50	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.90	6.90	6.90	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.97	8.97	8.97	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	5.60	5.60	5.60	ChEMBL

Showing 1 to 7 of 7 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	7.57	7.57	7.57	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	8.49	8.49	8.49	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL5434229

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.