CHEMBL70676
SMILES | Ic1c(NC2=NCCN2)ccc2nccnc12 |
InChIKey | YYTGOWDNUUXBGS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 1 |
Molecular weight (Da) | 339.0 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.37 | 7.37 | 7.37 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 7.26 | 7.26 | 7.26 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.94 | 7.94 | 7.94 | ChEMBL |