compound 10 [PMID: 31306001]


SMILES COC(=O)c1cccc(c1)CSc1nc(N)c(c(c1C#N)c1ccco1)C#N
InChIKey IKBOAPCYYHRBSI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 390.1

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 Human Adenosine A pKi 8.14 8.14 8.14 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 7.17 7.17 7.17 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
A1 AA1R Human Adenosine A pKi 8.14 8.14 8.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.5 6.5 6.5 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.85 8.85 8.85 ChEMBL