CHEMBL163247
SMILES | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 |
InChIKey | AKZOIEBLVQLVTR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 427.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 5.59 | 5.59 | 5.59 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 9.23 | 9.23 | 9.23 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 8.9 | 8.9 | 8.9 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 8.87 | 8.87 | 8.87 | ChEMBL |