Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 366037O6O7 |
InChI Key | DSLPMJSGSBLWRE-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C14H15NO5S |
Molecular Weight | 309.34 |
AlogP | 1.64 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 99.6 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 21.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Steryl-sulfatase inhibitor | PubMed |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 19
Cytochrome P450 family 19A
Cytochrome P450 19A1
|
- | 300-300 | - | - | - | |
Enzyme
Hydrolase
|
- | 2-2600 | - | - | 50-100 | |
Enzyme
Lyase
|
- | 17 | - | 1050 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Endometrial Neoplasms | 2 | D016889 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 1 | D064129 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 288628-05-7 |
ChEMBL | CHEMBL286738 |
DrugBank | DB02292 |
EPA CompTox | DTXSID50183059 |
FDA SRS | 366037O6O7 |
PDB | 667 |
PubChem | 5287541 |
SureChEMBL | SCHEMBL1275983 |
ZINC | ZINC000001549366 |