Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | HVF50SMY6E |
InChI Key | NZHGWWWHIYHZNX-CSKARUKUSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H17NO5 |
Molecular Weight | 327.34 |
AlogP | 3.05 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 84.86 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 24.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Transferase
|
- | 11600 | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 56 | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 41500 | - | - | - | |
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 1000 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pterygium | 3 | D011625 | ClinicalTrials |
Arthritis, Rheumatoid | 2 | D001172 | ClinicalTrials |
Scleredema Adultorum | 0 | D012592 | ClinicalTrials |
Sarcoidosis | 0 | D012507 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 53902-12-8 |
ChEBI | 77572 |
ChEMBL | CHEMBL415324 |
DrugBank | DB07615 |
DrugCentral | 2714 |
EPA CompTox | DTXSID7023693 |
FDA SRS | HVF50SMY6E |
Guide to Pharmacology | 6326 |
PDB | D27 |
PubChem | 5282230 |
SureChEMBL | SCHEMBL29875 |
ZINC | ZINC000000000797 |