CHEMBL419448
SMILES | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 |
InChIKey | FFVMPJRYEFKURT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 271.1 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 7.62 | 7.62 | 7.62 | ChEMBL |