CHEMBL2413104


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C
InChIKey HGGBYEHYTYZPQS-SSFWPFINSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 608.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 5.69 5.69 5.69 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.02 5.02 5.02 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.15 7.15 7.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database