CHEMBL3931747


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey YLEQGEOHZFVIAR-OHTVDBCQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 419.2

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 7.11 7.11 7.11 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.57 6.57 6.57 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.41 5.41 5.41 ChEMBL
A1 AA1R Human Adenosine A pKi 6.84 6.84 6.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database