Ap3a


SMILES O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChIKey QCICUPZZLIQAPA-XPWFQUROSA-N

Chemical properties

Hydrogen bond acceptors 23
Hydrogen bond donors 9
Rotatable bonds 12
Molecular weight (Da) 756.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.54 6.54 6.54 ChEMBL
A2A AA2AR Human Adenosine A pIC50 6.79 6.79 6.79 ChEMBL