CHEMBL4071338
SMILES | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)ncnc43)[C@H](O)[C@@H]2O)n1 |
InChIKey | OMBBIIJKWNGXQS-QCUYGVNKSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 457.1 |
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 |
A3 | AA3R | Rat | Adenosine | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 9.41 | 9.41 | 9.41 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.53 | 7.53 | 7.53 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 8.66 | 8.66 | 8.66 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pEC50 | 7.23 | 7.23 | 7.23 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 8.17 | 8.17 | 8.17 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pEC50 | 6.23 | 6.23 | 6.23 | ChEMBL |