CHEMBL4587144
SMILES | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O |
InChIKey | PCZAPKFXBXOWRY-OITXHHBMSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 405.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Mouse | Adenosine | A | pKi | 8.98 | 8.98 | 8.98 | ChEMBL |
A3 | AA3R | Mouse | Adenosine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.63 | 7.63 | 7.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |