CHEMBL1950661
SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O |
InChIKey | SAEBJQAMGQRLES-FFPHBOEOSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 7 |
Rotatable bonds | 14 |
Molecular weight (Da) | 646.3 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |