| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 29I7RP18RG |
| InChI Key | IRNJSRAGRIZIHD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H18N2O4S |
| Molecular Weight | 370.43 |
| AlogP | 2.8 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 85.36 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C8
|
- | 26000 | - | - | - | |
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C9
|
- | 22000 | - | - | - | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group C
Nuclear hormone receptor subfamily 1 group C member 3
|
657 | 22300 | - | - | - | |
|
Transporter
Electrochemical transporter
Mitochondrial pyruvate carrier family
|
- | 1200 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Alzheimer Disease | 2 | D000544 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEBI | 94409 |
| ChEMBL | CHEMBL146624 |
| DrugBank | DB11721 |
| FDA SRS | 29I7RP18RG |
| Guide to Pharmacology | 11303 |
| SureChEMBL | SCHEMBL18538169 |