MRS1706
SMILES | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C |
InChIKey | ZKUCFFYOQOJLGT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 503.2 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 8.86 | 8.86 | 8.86 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.95 | 6.95 | 6.95 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |