CHEMBL375965
SMILES | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
InChIKey | CUIKOXSLXYWHKH-NKMABPTMSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 6 |
Rotatable bonds | 20 |
Molecular weight (Da) | 883.3 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKd | 6.05 | 6.05 | 6.05 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 6.23 | 6.44 | 6.65 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 5.9 | 6.6 | 7.3 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pEC50 | 8.29 | 8.29 | 8.29 | ChEMBL |