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

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pKi 5.76 5.76 5.76 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.09 6.09 6.09 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.19 6.19 6.19 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.65 5.65 5.65 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.99 5.99 5.99 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.67 5.67 5.67 ChEMBL
κ OPRK Human Opioid A pKi 6.0 6.0 6.0 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR39 GPR39 Human Orphan A pEC50 7.82 9.06 10.22 ChEMBL
FFA4 FFAR4 Human Free fatty acid A pEC50 5.67 5.67 5.67 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.37 5.37 5.37 ChEMBL
GLP-1 GLP1R Human Glucagon B1 pEC50 5.49 5.49 5.49 ChEMBL