Trade Names: | |
Synonyms: | |
Status: | Approved (1978) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | G04BX13 |
UNII: | YOW8V9698H |
InChI Key | IAZDPXIOMUYVGZ-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C2H6OS |
Molecular Weight | 78.14 |
AlogP | -0.01 |
Hydrogen Bond Acceptor | 1.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 17.07 |
Molecular species | None |
Aromatic Rings | 0.0 |
Heavy Atoms | 4.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Threonine protease
Threonine protease PBT clan
Threonine protease T1A subfamily
|
- | - | - | - | 5 | |
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
- | - | - | - | 4 | |
Unclassified protein
|
- | 20800 | - | 10700 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Urinary Bladder, Overactive | 3 | D053201 | ClinicalTrials |
Reflex, Abnormal | 3 | D012021 | ClinicalTrials |
Urinary Incontinence, Urge | 3 | D053202 | ClinicalTrials |
Cystitis, Interstitial | 2 | D018856 | ClinicalTrials |
Contracture | 2 | D003286 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
HIV Infections | 1 | D015658 | ClinicalTrials |
Osteoarthritis | 1 | D010003 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 67-68-5 |
ChEBI | 28262 |
ChEMBL | CHEMBL504 |
DrugBank | DB01093 |
DrugCentral | 906 |
EPA CompTox | DTXSID2021735 |
FDA SRS | YOW8V9698H |
Human Metabolome Database | HMDB0002151 |
KEGG | C11143 |
PDB | DMS |
PharmGKB | PA449342 |
PubChem | 679 |
SureChEMBL | SCHEMBL59 |
ZINC | ZINC000005224188 |