CHEMBL601514


SMILES CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4c[nH]cn4)nc32)[C@H](O)[C@@H]1O
InChIKey XEBIBTRFVZVYQI-QEJHQWKJSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 595.3

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 Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.86 6.86 6.86 ChEMBL
A2A AA2AR Human Adenosine A pIC50 8.23 8.23 8.23 ChEMBL