GPCRdb

CHEMBL5409419

Agent/drug
Bioactivity

CHEMBL5409419

SMILES	COc1cccc2c3c(oc12)CN(CCCCOc1ccc2c(c1)NC(=O)CC2)CC3
InChIKey	UCGXXGOWEGSYJJ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	420.2

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	8.50	8.50	8.50	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.95	5.96	5.96	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.21	6.21	6.21	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	7.44	7.45	7.45	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.40	7.41	7.41	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.86	7.87	7.87	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	7.71	7.71	7.71	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	6.79	6.79	6.80	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	7.05	7.05	7.06	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	7.88	8.40	8.93	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	5.68	6.19	6.69	ChEMBL
D₄	DRD4	Human	Dopamine	A	pEC50	5.77	6.16	6.54	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL5409419

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.