PSB-17365
SMILES | Brc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1 |
InChIKey | XGNIAOMGYRRHNY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 309.0 |
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 | Rat | Adenosine | A | pKi | 5.03 | 5.03 | 5.03 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 4.17 | 4.17 | 4.17 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |