CHEMBL422184
SMILES | CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF |
InChIKey | PCKXPIQJKLNHMF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 417.2 |
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 | Rat | Adenosine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.01 | 5.01 | 5.01 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.22 | 5.22 | 5.22 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.02 | 8.02 | 8.02 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |