CHEMBL3945895
SMILES | CCn1nc(-c2cccc(-c3cc(C(=O)NCC[C@H]4CCCN4C)cc(C(=O)NC4CC4)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O |
InChIKey | PYDRNERUXUSFJW-HHHXNRCGSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 716.2 |
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 | 6.84 | 6.84 | 6.84 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |