CHEMBL437309
SMILES | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)cc2n(C)c1=O |
InChIKey | WVCKPHZTZFNJBQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 571.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 9.0 | 9.0 | 9.0 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 4.91 | 4.91 | 4.91 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 6.74 | 6.74 | 6.74 | ChEMBL |