CHEMBL5632545


SMILES COc1ccc(SC[C@@]23C[C@@H]2[C@@H](n2cnc4c(NC(C5CCCC5)C5CCCC5)nc(Cl)nc42)[C@H](O)[C@@H]3O)cc1OC
InChIKey GDLRHIWSHBJJCR-TWHFMCSZSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 613.2

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
β3 ADRB3 Human Adrenoceptors A pKi 5.68 5.68 5.68 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.59 6.59 6.59 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.43 6.43 6.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database