CHEMBL4587144


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey PCZAPKFXBXOWRY-OITXHHBMSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 405.2

Drug properties

Molecular type Small molecule
Endogenous/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 8.98 8.98 8.98 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.24 6.24 6.24 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.33 6.33 6.33 ChEMBL
A3 AA3R Human Adenosine A pKi 6.54 6.54 6.54 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.37 5.37 5.37 ChEMBL
A1 AA1R Human Adenosine A pKi 7.63 7.63 7.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database