GPCRdb

CHEMBL3342358

Agent/drug
Bioactivity

CHEMBL3342358

SMILES	CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(-c2ccccn2)n1
InChIKey	DRSZMILOMUPIBJ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	3
Rotatable bonds	7
Molecular weight (Da)	418.1

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_2C	ADA2C	Human	Adrenoceptors	A	pKi	5.76	5.76	5.76	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	6.00	6.00	6.00	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.67	5.67	5.67	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	6.19	6.19	6.19	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	5.65	5.65	5.65	ChEMBL
5-HT_5A	5HT5A	Human	5-Hydroxytryptamine	A	pKi	5.68	5.68	5.68	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	6.09	6.09	6.09	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.99	5.99	5.99	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₂	ADRB2	Human	Adrenoceptors	A	pEC50	5.37	5.37	5.37	ChEMBL
FFA4	FFAR4	Human	Free fatty acid	A	pEC50	5.67	5.67	5.67	ChEMBL
GLP-1	GLP1R	Human	Glucagon	B1	pEC50	5.49	5.49	5.49	ChEMBL
GPR39	GPR39	Human	A orphans	A	pEC50	7.82	9.06	10.22	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL3342358

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.