Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 1G26B32139 |
InChI Key | AFUWQWYPPZFWCO-LBPRGKRZSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C15H17N3O2S |
Molecular Weight | 303.39 |
AlogP | 1.41 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 65.2 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 21.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | 9300 | - | - | - | |
Ion channel
Ligand-gated ion channel
5HT3 receptor
|
5-9 | - | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Gastroesophageal Reflux | 2 | D005764 | ClinicalTrials |
Irritable Bowel Syndrome | 2 | D043183 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 153062-94-3 |
ChEMBL | CHEMBL1643880 |
DrugBank | DB12402 |
EPA CompTox | DTXSID70165211 |
FDA SRS | 1G26B32139 |
PubChem | 154104 |
SureChEMBL | SCHEMBL390615 |
ZINC | ZINC000000016869 |