CHEMBL5089483
SMILES | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O |
InChIKey | PRYJQIVBGGDTIP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | None |
Hydrogen bond donors | None |
Rotatable bonds | None |
Molecular weight (Da) |
Drug properties
Molecular type | Na |
Endogenous/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 | 8.31 | 8.31 | 8.31 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.24 | 7.81 | 8.41 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |