CHEMBL3951351
SMILES | Oc1ccc(-c2cnc(N[C@H]3CC[C@H](O)CC3)nc2-c2ccccc2)cc1Cl |
InChIKey | ZWPOEONGDSYEDB-QAQDUYKDSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 395.1 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.11 | 8.12 | 8.14 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.86 | 7.56 | 9.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |