CHEMBL4572905


SMILES CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey DPXIOJTWLPIVJN-TZFRNCDISA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 475.2

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
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.23 5.23 5.23 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.01 7.01 7.01 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 ChEMBL
A3 AA3R Human Adenosine A pKi 5.94 5.94 5.94 ChEMBL
A1 AA1R Human Adenosine A pKi 7.13 7.13 7.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database