CHEMBL27006
SMILES | FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1 |
InChIKey | FCDRFVCGMLUYPG-ROUUACIJSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 403.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 |
NK1 | NK1R | Rat | Tachykinin | A | pIC50 | 9.1 | 9.1 | 9.1 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pIC50 | 9.0 | 9.02 | 9.06 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |