CHEMBL5633293


SMILES CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey FGYOTSYWPQEGSP-RCGKAVQVSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 491.2

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 5.77 5.77 5.77 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.69 6.7 6.7 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 ChEMBL
A3 AA3R Human Adenosine A pKi 5.28 5.28 5.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database