CHEMBL3907658
SMILES | COc1cccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)c1 |
InChIKey | MTOYSMRCARGHKF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 367.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 9.04 | 9.04 | 9.04 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 7.33 | 7.33 | 7.33 | ChEMBL |