CHEMBL5088372
SMILES | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCOCCOCCOCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O |
InChIKey | SMLYNLQHAYCBJP-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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.08 | 8.08 | 8.08 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.86 | 8.24 | 8.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |