CHEMBL4436786


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)ncnc31)[C@H](O)[C@@H]2O
InChIKey SVXHSHXTKYMYNV-UZXPACTOSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 399.2

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
A1 AA1R Mouse Adenosine A pKi 9.28 9.28 9.28 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.04 6.04 6.04 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.67 6.67 6.67 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.88 5.88 5.88 ChEMBL
A1 AA1R Human Adenosine A pKi 7.64 7.64 7.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database