CHEMBL4459696


SMILES COC(=O)CSCCCc1ccccc1OCC(O)CNC(C)C
InChIKey UHPANSXIOGWEQL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 355.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.82 7.82 7.82 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.62 7.62 7.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pIC50 7.14 7.14 7.14 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 5.54 5.54 5.54 ChEMBL