CHEMBL5632374


SMILES CCSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey ZQZXMTBGWGRXRW-YZSDQEEOSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 505.2

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
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.28 5.28 5.28 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.68 5.68 5.68 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.82 5.82 5.82 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.44 5.44 5.44 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.73 6.73 6.73 ChEMBL
A3 AA3R Human Adenosine A pKi 5.2 5.2 5.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database