Synonyms: | |
Status: | Approved (2001) |
Entry Type: | Small molecule |
Molecule Category: | Parent Prodrug |
ATC: | A02BC05 |
UNII: | N3PA6559FT |
InChI Key | SUBDBMMJDZJVOS-DEOSSOPVSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H19N3O3S |
Molecular Weight | 345.42 |
AlogP | 2.9 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 77.1 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 24.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Epigenetic regulator
Reader
Bromodomain
|
- | 1800 | - | - | - | |
Epigenetic regulator
Reader
Plant homeodomain
|
- | 1800 | - | - | - | |
Epigenetic regulator
Writer
Protein methyltransferase
|
- | 1800 | - | - | - | |
Other nuclear protein
|
- | 1800 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Peptic Ulcer | 4 | D010437 | ClinicalTrials |
Peptic Ulcer | 4 | D010437 | ClinicalTrials |
Esophagitis, Peptic | 3 | D004942 | ClinicalTrials |
Osteoarthritis | 3 | D010003 | ClinicalTrials |
Gastrointestinal Hemorrhage | 3 | D006471 | ClinicalTrials |
Ulcer | 3 | D014456 | ClinicalTrials |
Hemorrhage | 3 | D006470 | ClinicalTrials |
Nausea | 3 | D009325 | ClinicalTrials |
Gastritis | 3 | D005756 | ClinicalTrials |
Pre-Eclampsia | 3 | D011225 | ClinicalTrials |
Helicobacter Infections | 3 | D016481 | ClinicalTrials |
Gastritis | 3 | D005756 | ClinicalTrials |
Stomach Ulcer | 3 | D013276 | ClinicalTrials |
Digestive System Diseases | 3 | D004066 | ClinicalTrials |
Esophageal Neoplasms | 3 | D004938 | ClinicalTrials |
Neuralgia | 2 | D009437 | ClinicalTrials |
Eosinophilic Esophagitis | 2 | D057765 | ClinicalTrials |
Autistic Disorder | 2 | D001321 | ClinicalTrials |
Dyspepsia | 2 | D004415 | ClinicalTrials |
Asthma | 2 | D001249 | ClinicalTrials |
Cystic Fibrosis | 2 | D003550 | ClinicalTrials |
Arthritis, Juvenile | 1 | D001171 | ClinicalTrials |
Breast Neoplasms | 1 | D001943 | ClinicalTrials |
Hepatitis B, Chronic | 1 | D019694 | ClinicalTrials |
Lymphoma | 1 | D008223 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Child Development Disorders, Pervasive | 1 | D002659 | ClinicalTrials |
Hypertension, Pulmonary | 1 | D006976 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 119141-88-7 |
ChEBI | 50275 |
ChEMBL | CHEMBL1201320 |
DrugBank | DB00736 |
DrugCentral | 1055 |
EPA CompTox | DTXSID4044292 |
FDA SRS | N3PA6559FT |
Human Metabolome Database | HMDB0014874 |
Guide to Pharmacology | 5488 |
PubChem | 9568614 |
SureChEMBL | SCHEMBL19535 |
ZINC | ZINC000004693574 |