CHEMBL3929143
SMILES | COc1cc(Nc2nccc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC |
InChIKey | PDMOOGGSAAZHAT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 376.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKd | 6.6 | 6.87 | 7.13 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 6.88 | 6.88 | 6.88 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pIC50 | 8.29 | 8.29 | 8.29 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 8.72 | 8.72 | 8.72 | ChEMBL |