CHEMBL1950654
SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5ccccc5)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O |
InChIKey | BWHLYEQTTHPURZ-ZOPCGFQQSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 6 |
Rotatable bonds | 14 |
Molecular weight (Da) | 660.3 |
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 | Human | Adenosine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.91 | 5.91 | 5.91 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |