| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AG02 |
| UNII: | 3G943U18KM |
Structure
| InChI Key | YEZNLOUZAIOMLT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12ClNO2 |
| Molecular Weight | 261.71 |
| AlogP | 4.09 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | - | - | 8 | - | |
|
Secreted protein
|
- | 40000 | 150 | - | - | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 3
Nuclear hormone receptor subfamily 3 group C
Nuclear hormone receptor subfamily 3 group C member 4
|
- | 47000 | - | - | 47 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 77 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
| Supranuclear Palsy, Progressive | 1 | D013494 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 32243 |
| ChEMBL | CHEMBL121626 |
| DrugBank | DB09216 |
| DrugCentral | 2698 |
| EPA CompTox | DTXSID1045409 |
| FDA SRS | 3G943U18KM |
| Human Metabolome Database | HMDB0042043 |
| Guide to Pharmacology | 8769 |
| PDB | TLF |
| PharmGKB | PA166049189 |
| PubChem | 610479 |
| SureChEMBL | SCHEMBL25190 |
| ZINC | ZINC000000002188 |
CONTENTS