CHEMBL510696
SMILES | COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2cccs2)n1 |
InChIKey | JSBYWPLAHJGGCH-GFCCVEGCSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 332.1 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |