GPCRdb

CHEMBL2391541

Agent/drug
Bioactivity

CHEMBL2391541

SMILES	C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12
InChIKey	HGRHWEAUHXYNNP-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	270.2

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_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.67	6.67	6.67	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.14	6.14	6.14	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	5.83	6.14	6.30	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	5.95	5.95	5.95	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.76	7.23	7.72	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	6.13	6.64	6.89	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	6.80	6.86	7.00	ChEMBL
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	6.30	6.35	6.38	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.26	6.46	6.66	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.23	7.40	7.50	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	5.76	5.95	6.34	ChEMBL
5-HT_5A	5HT5A	Human	5-Hydroxytryptamine	A	pKi	5.48	5.48	5.48	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	6.81	6.99	7.08	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	7.05	7.53	7.77	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.30	6.30	6.31	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.90	6.08	6.30	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	5.37	5.37	5.37	ChEMBL
H₃	HRH3	Human	Histamine	A	pKi	5.77	5.77	5.77	ChEMBL

Showing 1 to 18 of 18 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pEC50	7.56	8.05	8.55	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pEC50	8.26	8.26	8.26	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pEC50	8.03	8.03	8.03	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL2391541

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.