CHEMBL4542960


SMILES CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C
InChIKey GQDSDPKIRQFELH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 21
Molecular weight (Da) 571.3

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
β2 ADRB2 Human Adrenoceptors A pKi 8.49 8.49 8.49 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.45 7.45 7.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pIC50 7.66 7.66 7.66 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.19 6.19 6.19 ChEMBL