CHEMBL32311
SMILES | CCCn1c(=O)c2nc(-c3cc(NC(=O)Nc4ccc(N(C)C)cc4)nn3C)[nH]c2n(CCC)c1=O |
InChIKey | LWLVHXWRMBQCPI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 493.3 |
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 | 7.23 | 7.23 | 7.23 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |