CHEMBL3741543
SMILES | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 |
InChIKey | WOKSHSWUKATBJD-BYZAXBFFSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 496.2 |
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 | 6.91 | 7.67 | 8.22 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 8.39 | 8.39 | 8.39 | ChEMBL |