CHEMBL3955519


SMILES CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey IRHYVDDJDDMRKD-QNEDUEMWSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 447.2

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-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.82 8.13 8.74 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.27 7.73 8.41 ChEMBL
A3 AA3R Human Adenosine A pKi 6.63 6.63 6.63 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.8 5.8 5.8 ChEMBL
A1 AA1R Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database