GPCRdb

CHEMBL3608450

Agent/drug
Bioactivity

CHEMBL3608450

SMILES	COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4
InChIKey	XYYAWEJOUNEPTR-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	3
Molecular weight (Da)	415.2

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	6.14	6.14	6.14	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	5.49	5.49	5.49	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.36	6.36	6.36	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.02	7.02	7.02	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	6.20	6.20	6.20	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pIC50	6.00	6.00	6.00	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3608450

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.