CHEMBL327554
SMILES | CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1C#Cc1ccccc1 |
InChIKey | DQVGGZDGXRHKST-UUDCSCGESA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 505.2 |
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 | Rat | Adenosine | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |