CHEMBL604649
SMILES | CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccs4)nc32)[C@H](O)[C@@H]1O |
InChIKey | VKKBMFFFMITCPD-CDJKEZFESA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 414.1 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 7.71 | 7.71 | 7.71 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Rat | Adenosine | A | pEC50 | 6.64 | 6.64 | 6.64 | ChEMBL |