GPCRdb

CHEMBL426317

Agent/drug
Bioactivity

CHEMBL426317

SMILES	COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1
InChIKey	PGGCRGAETLNAJC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	373.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	6.38	7.28	8.17	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	6.42	6.42	6.42	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.60	6.60	6.60	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.96	6.96	6.96	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.96	9.39	9.82	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	6.64	6.64	6.64	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.68	5.68	5.68	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.47	7.47	7.47	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	6.48	7.19	7.89	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.59	5.59	5.59	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	7.66	7.66	7.66	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	6.08	6.08	6.08	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	5.67	5.67	5.67	ChEMBL

Showing 1 to 13 of 13 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	9.52	9.52	9.52	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL426317

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.