CHEMBL3976121


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey PWANAKRSKQRVSS-QKZATRHHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 432.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.64 7.88 8.36 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.12 6.27 6.57 ChEMBL
A3 AA3R Human Adenosine A pKi 7.47 7.47 7.47 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.37 5.37 5.37 ChEMBL
A1 AA1R Human Adenosine A pKi 6.96 6.96 6.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database