CHEMBL4541086
SMILES | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O |
InChIKey | PVJGDYDNVNCGBT-XSMNFLGNSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 379.1 |
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 |
A3 | AA3R | Mouse | Adenosine | A | pKi | 5.81 | 5.81 | 5.81 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.91 | 5.91 | 5.91 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.69 | 5.69 | 5.69 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 9.12 | 9.12 | 9.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |