(+)-cyclazosin
SMILES | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 |
InChIKey | XBRXTUGRUXGBPX-DLBZAZTESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 437.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7B6W |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |