CHEMBL4864883
SMILES | OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O |
InChIKey | AIJPTCVDEDYCCU-NVQRDWNXSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 433.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.48 | 5.48 | 5.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 7.98 | 7.98 | 7.98 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 4.66 | 4.66 | 4.66 | ChEMBL |