CHEMBL5632033


SMILES CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(SC)nc31)[C@H](O)[C@@H]2O
InChIKey HBQNVPYXBCNLOR-YZSDQEEOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 503.2

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
α2B ADA2B Human Adrenoceptors A pKi 5.92 5.92 5.92 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.65 6.65 6.65 ChEMBL
A3 AA3R Human Adenosine A pKi 5.18 5.18 5.18 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.03 5.03 5.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database