VUF5574
SMILES | COc1ccccc1NC(=O)Nc1nc(nc2c1cccc2)c1cccnc1 |
InChIKey | YRAFEJSZTVWUMD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 371.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 8.39 | 8.39 | 8.39 | Guide to Pharmacology |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
A2B | AA2BR | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.39 | 6.89 | 8.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |