Synonyms: | |
Status: | Approved (1999) |
Entry Type: | Small molecule |
Molecule Category: | UKNOWN |
UNII: | 3L36P16U4R |
InChI Key | KRCQSTCYZUOBHN-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H20N3NaO3S |
Molecular Weight | 381.43 |
AlogP | 2.99 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 8.0 |
Polar Surface Area | 77.1 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 25.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 33900 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Duodenal Ulcer | 4 | D004381 | ClinicalTrials |
Cerebrovascular Disorders | 3 | D002561 | ClinicalTrials |
Esophagitis, Peptic | 2 | D004942 | ClinicalTrials |
Laryngopharyngeal Reflux | 2 | D057045 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 8769 |
ChEMBL | CHEMBL1200930 |
EPA CompTox | DTXSID3044205 |
FDA SRS | 3L36P16U4R |
KEGG | C07865 |
SureChEMBL | SCHEMBL140494 |