OSIP339391


SMILES CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1
InChIKey MIUCZFWBCFZKEU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 525.3

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
A2B AA2BR Human Adenosine A pKi 9.3 9.3 9.3 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKd 9.8 9.8 9.8 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 9.3 9.34 9.4 ChEMBL
A2B AA2BR Human Adenosine A pKd 9.77 9.77 9.77 ChEMBL
A3 AA3R Human Adenosine A pKi 6.35 6.35 6.35 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
A1 AA1R Human Adenosine A pKi 6.35 7.07 7.43 ChEMBL
A1 AA1R Human Adenosine A pKi 7.43 7.43 7.43 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.48 6.48 6.48 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.39 9.39 9.39 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.35 6.35 6.35 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database