CHEMBL3963331
SMILES | CCn1nc(-c2cccc(-c3cccc(C(=O)O)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O |
InChIKey | VDUNTICFHKEWCX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 523.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 6.65 | 6.65 | 6.65 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 6.57 | 6.57 | 6.57 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 7.77 | 7.77 | 7.77 | ChEMBL |