CHEMBL344284
SMILES | CCOC(=O)C1=C(c2ccc(Cl)cc2)N=C(C)/C(=C(/O)OCC)C1/C=C/c1ccccc1 |
InChIKey | BRGLBHOTVMLKET-ANDANUJZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 451.2 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.48 | 4.48 | 4.48 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |