Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 318ADP12RI |
InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H18O9 |
Molecular Weight | 354.31 |
AlogP | -0.65 |
Hydrogen Bond Acceptor | 8.0 |
Hydrogen Bond Donor | 6.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 164.75 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 25.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | 31300-87800 | - | - | 60-88 | |
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Src family
|
- | - | - | - | 12 | |
Enzyme
Oxidoreductase
|
- | 300-1800 | - | - | 8 | |
Enzyme
Phosphatase
Protein Phosphatase
Serine/threonine/tyrosine protein phosphatase
|
- | - | - | - | 31 | |
Enzyme
Phosphatase
Protein Phosphatase
Tyrosine protein phosphatase
|
- | 11100 | - | 15100 | 28 | |
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class I
|
- | - | - | 135 | - | |
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIa
|
- | - | - | 135 | - | |
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | 135 | - | |
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IV
|
- | - | - | 135 | - | |
Membrane receptor
|
- | 92900 | - | - | - | |
Transcription factor
|
- | - | - | - | ||
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 103 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Glioblastoma | 2 | D005909 | ClinicalTrials |
Glucose Intolerance | 2 | D018149 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Lung Neoplasms | 1 | D008175 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 202650-88-2 |
ChEBI | 16112 |
ChEMBL | CHEMBL284616 |
DrugBank | DB12029 |
FDA SRS | 318ADP12RI |
Human Metabolome Database | HMDB0003164 |
KEGG | C00852 |
PubChem | 1794427 |
SureChEMBL | SCHEMBL19466 |
ZINC | ZINC000002138728 |