CHEMBL5632406


SMILES CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey MVXQUGZXCXZXGN-NQWXTVAOSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 435.2

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 7.64 7.64 7.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.11 6.11 6.11 ChEMBL
A3 AA3R Human Adenosine A pKi 6.03 6.03 6.03 ChEMBL
A1 AA1R Human Adenosine A pKi 7.2 7.2 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database