CHEMBL278332
SMILES | CCCn1c(=O)c2c(ncn2C)n(CCC)c1=O |
InChIKey | QVAYTZAGDQIWMB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 250.1 |
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 | Guinea pig | Adenosine | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
A1 | AA1R | Guinea pig | Adenosine | A | pKi | 5.11 | 5.11 | 5.11 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.92 | 5.18 | 5.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 6.22 | 6.22 | 6.22 | ChEMBL |