CHEMBL53675
SMILES | CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O |
InChIKey | AXOUSXBEKHBGLU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 458.2 |
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 | 7.1 | 7.1 | 7.1 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |