Synonyms: | |
Status: | Phase 1 |
Entry Type: | Small molecule |
Molecule Category: | UKNOWN |
UNII: | 64ONO62P28 |
InChI Key | NHPQGZOBHSVTAQ-IBGZPJMESA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C20H24N2O4S |
Molecular Weight | 388.49 |
AlogP | 3.1 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 75.71 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 27.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | 15000 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Orexin receptor
|
- | 11-11 | - | 1 | - |
Resources | Reference |
---|---|
ChEMBL | CHEMBL3597952 |
FDA SRS | 64ONO62P28 |
Guide to Pharmacology | 9303 |
PDB | NRZ |
SureChEMBL | SCHEMBL2704391 |
ZINC | ZINC000009068446 |