| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | K619IIG2R9 |
Structure
| InChI Key | MVGSNCBCUWPVDA-MFOYZWKCSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H17FO4S |
| Molecular Weight | 372.42 |
| AlogP | 4.03 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 71.44 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Aspartic protease
Aspartic protease AD clan
Aspartic protease A22A subfamily
Aspartic protease A22A regulatory subfamily
|
- | - | - | - | 9 | |
|
Enzyme
|
- | - | - | - | 9 | |
|
Ion channel
Other ion channel
Miscellaneous ion channel
Presenilin ER Ca2+ leak channel family
|
- | - | - | - | 9 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
| Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
| Lung Neoplasms | 2 | D008175 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
| Breast Neoplasms | 1 | D001943 | ClinicalTrials |
| Neoplasm Metastasis | 1 | D009362 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59973-80-7 |
| ChEBI | 64212 |
| ChEMBL | CHEMBL488025 |
| DrugBank | DB06246 |
| DrugCentral | 3219 |
| EPA CompTox | DTXSID6040246 |
| FDA SRS | K619IIG2R9 |
| PDB | SLO |
| PubChem | 5472495 |
| SureChEMBL | SCHEMBL1651133 |
| ZINC | ZINC000012341529 |
CONTENTS