CHEMBL4451553
SMILES | Clc1cccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)c1 |
InChIKey | VLLIHTNLJIYAEM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 313.1 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |