Trade Names: | |
Synonyms: | |
Status: | Approved (1975) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | MNX7R8C5VO |
InChI Key | TZFNLOMSOLWIDK-JTQLQIEISA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C10H14N2O4 |
Molecular Weight | 226.23 |
AlogP | -0.05 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 5.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 115.81 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 16.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Epigenetic regulator
Eraser
Lysine demethylase
Jumonji domain-containing
|
- | - | - | 1980 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 113 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Amblyopia | 3 | D000550 | ClinicalTrials |
Stroke | 3 | D020521 | ClinicalTrials |
Dysautonomia, Familial | 3 | D004402 | ClinicalTrials |
Spinal Cord Injuries | 2 | D013119 | ClinicalTrials |
Back Pain | 2 | D001416 | ClinicalTrials |
Fibromyalgia | 2 | D005356 | ClinicalTrials |
Schizophrenia | 2 | D012559 | ClinicalTrials |
Macular Degeneration | 2 | D008268 | ClinicalTrials |
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
Retinitis Pigmentosa | 2 | D012174 | ClinicalTrials |
Pain | 2 | D010146 | ClinicalTrials |
Albinism, Oculocutaneous | 2 | D016115 | ClinicalTrials |
Aphasia | 2 | D001037 | ClinicalTrials |
Hypertension | 1 | D006973 | ClinicalTrials |
Asthma | 1 | D001249 | ClinicalTrials |
Angelman Syndrome | 1 | D017204 | ClinicalTrials |
Tobacco Use Disorder | 1 | D014029 | ClinicalTrials |
Amyotrophic Lateral Sclerosis | 1 | D000690 | ClinicalTrials |
Hypotension, Orthostatic | 1 | D007024 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 3395 |
ChEMBL | CHEMBL1200748 |
FDA SRS | MNX7R8C5VO |
SureChEMBL | SCHEMBL1217887 |
ChEBI | 39585 |
ChEMBL | CHEMBL1201236 |
DrugBank | DB00190 |
DrugCentral | 496 |
EPA CompTox | DTXSID4022735 |
FDA SRS | KR87B45RGH |
Human Metabolome Database | HMDB0014336 |
Guide to Pharmacology | 5159 |
PDB | 142 |
PharmGKB | PA448794 |
SureChEMBL | SCHEMBL35084 |
ZINC | ZINC000019168887 |