CHEMBL2042305
SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O |
InChIKey | LPUCXUCWIQBLNE-KCIBBDPESA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 5 |
Rotatable bonds | 12 |
Molecular weight (Da) | 607.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 7.18 | 7.18 | 7.18 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pEC50 | 5.93 | 5.93 | 5.93 | ChEMBL |