CHEMBL5082920


SMILES Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCC3)ccc1C2=O
InChIKey QPCGSLWGRJGHNY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 400.2

Drug properties

Molecular type Unknown
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 7.32 7.32 7.32 ChEMBL
H3 HRH3 Human Histamine A pKi 7.77 7.77 7.77 ChEMBL
A3 AA3R Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
A1 AA1R Human Adenosine A pKi 7.9 7.9 7.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.21 8.21 8.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database