AC265347
SMILES | Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C |
InChIKey | IGSZVEPQZANNAB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 283.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | CaS |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Rat | Adenosine | A | pKi | 4.45 | 4.47 | 4.55 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.59 | 4.72 | 5.13 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.14 | 5.19 | 5.35 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |