CHEMBL4463802


SMILES O=C(NC1CC1)[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 AKLVJLLZBWQCQV-FVAGCKFDSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 458.2

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
A2A AA2AR Mouse Adenosine A pKi 5.58 5.58 5.58 ChEMBL
A1 AA1R Mouse Adenosine A pKi 9.35 9.35 9.35 ChEMBL
A3 AA3R Mouse Adenosine A pKi 7.53 7.53 7.53 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 ChEMBL
A3 AA3R Human Adenosine A pKi 7.23 7.23 7.23 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.28 6.28 6.28 ChEMBL
A1 AA1R Human Adenosine A pKi 8.91 8.91 8.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database