Synonyms: | |
Status: | Approved (1993) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | S01XA26 |
UNII: | TLM2976OFR |
InChI Key | AUNGANRZJHBGPY-SCRDCRAPSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H20N4O6 |
Molecular Weight | 376.37 |
AlogP | -1.72 |
Hydrogen Bond Acceptor | 9.0 |
Hydrogen Bond Donor | 5.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 161.56 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 27.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Transferase
|
- | 8800 | - | - | - | |
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
|
- | - | - | - | 223 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 73 | |
Unclassified protein
|
- | 18000 | 5-46 | 350 | 57-78 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Diabetic Neuropathies | 3 | D003929 | ClinicalTrials |
Keratoconus | 3 | D007640 | ClinicalTrials |
Hematologic Diseases | 3 | D006402 | ClinicalTrials |
Refractive Errors | 2 | D012030 | ClinicalTrials |
Psoriasis | 2 | D011565 | ClinicalTrials |
Acidosis, Lactic | 2 | D000140 | ClinicalTrials |
Refractive Errors | 2 | D012030 | ClinicalTrials |
Brain Concussion | 2 | D001924 | ClinicalTrials |
Myopia | 2 | D009216 | ClinicalTrials |
Chronic Pain | 2 | D059350 | ClinicalTrials |
Heart Failure | 2 | D006333 | ClinicalTrials |
Myocardial Infarction | 2 | D009203 | ClinicalTrials |
Multiple Sclerosis | 1 | D009103 | ClinicalTrials |
Hyperopia | 1 | D006956 | ClinicalTrials |
Uterine Cervical Neoplasms | 1 | D002583 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 83-88-5 |
ChEBI | 17015 |
ChEMBL | CHEMBL1534 |
DrugBank | DB00140 |
DrugCentral | 2834 |
EPA CompTox | DTXSID8021777 |
FDA SRS | TLM2976OFR |
Human Metabolome Database | HMDB0000244 |
Guide to Pharmacology | 6578 |
KEGG | C00255 |
PDB | RBF |
PharmGKB | PA451242 |
PubChem | 493570 |
SureChEMBL | SCHEMBL7706 |
ZINC | ZINC000002036848 |