CHEMBL5075285
SMILES | CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc5ccc(/C=C/C6=[N+]7C(=Cc8ccc(-c9cccs9)n8[B-]7(F)F)C=C6)cc5)(CC3)CC4)nc2n(CCC)c1=O |
InChIKey | FKNRJXJOVAUZEB-SDNWHVSQSA-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 | pKd | 8.11 | 8.11 | 8.11 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKd | 6.87 | 6.87 | 6.87 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKd | 7.55 | 7.55 | 7.55 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 8.51 | 8.72 | 8.93 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 9.54 | 9.54 | 9.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |