CHEMBL1504701
SMILES | O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 |
InChIKey | RVALRXZLYFQZGR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 464.0 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.17 | 6.58 | 7.0 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.4 | 5.4 | 5.4 | ChEMBL |
Y1 | NPY1R | Human | Neuropeptide Y | A | pEC50 | 4.45 | 4.45 | 4.45 | ChEMBL |
Y2 | NPY2R | Human | Neuropeptide Y | A | pEC50 | 4.5 | 4.5 | 4.5 | ChEMBL |