CHEMBL458409
SMILES | Cc1cc2c(c(C)c1O)c1ccncc1n2C |
InChIKey | JCDJPCUBMGHYGU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 0 |
Molecular weight (Da) | 226.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 4.36 | 4.36 | 4.36 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.09 | 4.09 | 4.09 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
A3 | AA3R | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |