CHEMBL4468583
SMILES | Clc1ccc(C#Cc2nc(NC(C3CC3)C3CC3)c3nc[nH]c3n2)s1 |
InChIKey | YCBHAFIEKFLWFS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 369.1 |
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 | 7.43 | 7.43 | 7.43 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |