CHEMBL1512545


SMILES NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
InChIKey JFRJCQJVFMHZOO-QZHHGCDDSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 11
Molecular weight (Da) 576.2

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 Rat Adenosine A pKi 8.89 9.03 9.07 ChEMBL
A3 AA3R Human Adenosine A pKi 7.91 7.91 7.91 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.43 6.43 6.43 ChEMBL
A1 AA1R Human Adenosine A pKi 7.98 7.98 7.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
RXFP1 RXFP1 Human Relaxin family peptide A Potency 5.85 5.85 5.85 ChEMBL