BAY-545


SMILES CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O
InChIKey NTYVAKNEYLJAPT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 433.1

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
A2B AA2BR Human Adenosine A pKi 7.01 7.01 7.01 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Mouse Adenosine A pIC50 6.4 6.4 6.4 Guide to Pharmacology
A2B AA2BR Rat Adenosine A pIC50 6.55 6.55 6.55 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pIC50 6.4 6.4 6.4 ChEMBL
A1 AA1R Human Adenosine A pIC50 5.89 5.89 5.89 ChEMBL
A2A AA2AR Human Adenosine A pIC50 6.09 6.09 6.09 ChEMBL
A2B AA2BR Human Adenosine A pIC50 7.18 7.21 7.23 ChEMBL
A2A AA2AR Mouse Adenosine A pIC50 6.33 6.33 6.33 ChEMBL
A2B AA2BR Rat Adenosine A pIC50 6.55 6.55 6.55 ChEMBL
A2A AA2AR Rat Adenosine A pIC50 6.12 6.12 6.12 ChEMBL