| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 25X51I8RD4 |
Structure
| InChI Key | DFPAKSUCGFBDDF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.13 |
| AlogP | 0.18 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 55.98 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 9.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 3300 | - | - | - | |
|
Enzyme
Oxidoreductase
|
- | - | - | - | 0 | |
|
Enzyme
Transferase
|
- | 23100 | - | - | - | |
|
Enzyme
|
- | 39400-40000 | - | - | 0 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class III
|
- | 1200-100000 | - | - | 1-100 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Acne Vulgaris | 4 | D000152 | ClinicalTrials |
| Renal Insufficiency, Chronic | 3 | D051436 | ClinicalTrials |
| Jaundice, Obstructive | 3 | D041781 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Diabetic Neuropathies | 3 | D003929 | ClinicalTrials |
| Lupus Erythematosus, Systemic | 2 | D008180 | ClinicalTrials |
| Lupus Erythematosus, Cutaneous | 2 | D008178 | ClinicalTrials |
| Depressive Disorder | 2 | D003866 | ClinicalTrials |
| Ataxia Telangiectasia | 2 | D001260 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 2 | D015451 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
| Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
| Psoriasis | 2 | D011565 | ClinicalTrials |
| Carcinoma, Basal Cell | 2 | D002280 | ClinicalTrials |
| Malnutrition | 2 | D044342 | ClinicalTrials |
| Polycystic Kidney Diseases | 2 | D007690 | ClinicalTrials |
| Neurodegenerative Diseases | 2 | D019636 | ClinicalTrials |
| Friedreich Ataxia | 2 | D005621 | ClinicalTrials |
| Pre-Eclampsia | 2 | D011225 | ClinicalTrials |
| Hodgkin Disease | 1 | D006689 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 1 | D008228 | ClinicalTrials |
| Anemia, Sickle Cell | 1 | D000755 | ClinicalTrials |
| Alzheimer Disease | 1 | D000544 | ClinicalTrials |
| Hyperphosphatemia | 1 | D054559 | ClinicalTrials |
| Multiple Sclerosis | 1 | D009103 | ClinicalTrials |
| Acute Kidney Injury | 0 | D058186 | ClinicalTrials |
| Melanosis | 0 | D008548 | ClinicalTrials |
| Keratosis, Actinic | 0 | D055623 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 98-92-0 |
| ChEBI | 17154 |
| ChEMBL | CHEMBL1140 |
| DrugBank | DB02701 |
| DrugCentral | 1906 |
| EPA CompTox | DTXSID2020929 |
| FDA SRS | 25X51I8RD4 |
| Human Metabolome Database | HMDB0001406 |
| KEGG | C00153 |
| PDB | NCA |
| PubChem | 936 |
| SureChEMBL | SCHEMBL19978192 |
| ZINC | ZINC000000005878 |
CONTENTS