CHEMBL134837
SMILES | CCCn1c(=O)c2nc([C@H]3CC[C@H](CNC(C)=O)CC3)[nH]c2n(CCC)c1=O |
InChIKey | XFYITOILSTZMGV-SHTZXODSSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 389.2 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |