CHEMBL486282
SMILES | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O |
InChIKey | XBLGRIMBLMBXMW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 522.2 |
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 | 6.87 | 6.87 | 6.87 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.02 | 7.02 | 7.02 | PDSP Ki database |
A2B | AA2BR | Human | Adenosine | A | pKi | 8.52 | 8.52 | 8.52 | PDSP Ki database |
A3 | AA3R | Human | Adenosine | A | pKi | 5.68 | 5.68 | 5.68 | PDSP Ki database |
A1 | AA1R | Human | Adenosine | A | pKi | 5.93 | 5.93 | 5.93 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |