CHEMBL3139683


SMILES O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1
InChIKey CMKZQSHWRVZOOY-PMERELPUSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 18
Molecular weight (Da) 547.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 7.0 7.0 7.0 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 6.1 6.1 6.1 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 6.3 6.3 6.3 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 8.7 8.7 8.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 7.0 7.0 7.0 ChEMBL