vipadenant


SMILES Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N
InChIKey HQSBCDPYXDGTCL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 321.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 5OLH

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 7.17 7.17 7.17 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 8.89 8.89 8.89 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.2 7.2 7.2 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKd 7.5 7.5 7.5 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.2 7.2 7.2 ChEMBL
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A3 AA3R Human Adenosine A pKd 5.8 5.8 5.8 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.89 8.94 9.1 ChEMBL
A2A AA2AR Human Adenosine A pKd 9.2 9.2 9.2 ChEMBL
A1 AA1R Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
A1 AA1R Human Adenosine A pKd 7.0 7.0 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database