Synonyms: | |
Status: | Approved (2023) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 83VNE45KXX |
InChI Key | PPSNFPASKFYPMN-SECBINFHSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H15FN6OS |
Molecular Weight | 358.4 |
AlogP | 2.46 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 76.8 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 25.0 |
Primary Target | |
---|---|
NK3 receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C19
|
- | 48000 | - | - | - | |
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C9
|
- | 42000 | - | - | - | |
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | 90000 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Neurokinin receptor
|
- | 20 | - | 219 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Hot Flashes | 3 | D019584 | ClinicalTrials |
Liver Diseases | 1 | D008107 | ClinicalTrials |
Kidney Diseases | 1 | D007674 | ClinicalTrials |
Resources | Reference |
---|---|
ChEMBL | CHEMBL3608680 |
DrugBank | DB15669 |
FDA SRS | 83VNE45KXX |
Guide to Pharmacology | 10422 |
PubChem | 117604931 |
SureChEMBL | SCHEMBL16114810 |
ZINC | ZINC000218861630 |