CHEMBL199732
SMILES | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccccc5Cl)n4)c3)[nH]c2n(CCC)c1=O |
InChIKey | CIEOLLDIUUWRAM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 494.2 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |