PENECA


SMILES CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2N
InChIKey SWXXHYTUMIMRFO-KSVNGYGVSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 408.2

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 6.2 6.2 6.2 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.2 6.2 6.2 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.2 8.2 8.2 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.16 6.16 6.16 ChEMBL
A3 AA3R Human Adenosine A pKi 8.21 8.21 8.21 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.21 6.21 6.21 ChEMBL
A1 AA1R Human Adenosine A pKi 6.25 6.25 6.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 5.82 5.82 5.82 ChEMBL