CHEMBL2382435
SMILES | COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1 |
InChIKey | SHLPQUHKONZOAE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 354.1 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.65 | 7.65 | 7.65 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |