Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | 25X51I8RD4 |
InChI Key | DFPAKSUCGFBDDF-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
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 |
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 |