GPCRdb

CHEMBL2068762

Agent/drug
Bioactivity

CHEMBL2068762

SMILES	COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
InChIKey	GKTQBPYMIGXPKG-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	423.2

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

α_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.00	6.00	6.00	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.50	6.50	6.50	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	7.62	7.62	7.62	ChEMBL
β₁	ADRB1	Human	Adrenoceptors	A	pKi	6.32	6.32	6.32	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	7.22	7.22	7.22	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.87	8.87	8.87	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.38	7.38	7.38	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	7.00	7.00	7.00	ChEMBL
5-HT_5A	5HT5A	Human	5-Hydroxytryptamine	A	pKi	6.64	6.64	6.64	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	6.92	6.92	6.92	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	8.04	8.04	8.04	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.13	5.13	5.13	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.66	7.66	7.66	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.20	7.20	7.20	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.07	8.07	8.07	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	6.82	6.82	6.82	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	6.52	6.52	6.52	ChEMBL

Showing 1 to 17 of 17 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	10.30	10.65	11.00	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL2068762

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.