N-(4-cyanophenyl)-2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide


SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=C2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N
InChIKey BECUPSZIIZFXCR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 485.2

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
A1 AA1R Human Adenosine A pKi 6.39 6.39 6.39 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.3 6.3 6.3 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 8.71 8.71 8.71 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.24 6.24 6.24 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database