| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | OMP2H17F9E |
Structure
| InChI Key | BEZZFPOZAYTVHN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H13N3O3S |
| Molecular Weight | 315.35 |
| AlogP | 2.91 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 84.08 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 17 | |
|
Enzyme
Transferase
|
- | - | - | - | 0 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 114 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Infections | 2 | D007239 | ClinicalTrials |
| Helminthiasis | 2 | D006373 | ClinicalTrials |
| Trichuriasis | 2 | D014257 | ClinicalTrials |
| Cysticercosis | 1 | D003551 | ClinicalTrials |
| Taeniasis | 1 | D013622 | ClinicalTrials |
| Filariasis | 1 | D005368 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53716-50-0 |
| ChEBI | 35812 |
| ChEMBL | CHEMBL42442 |
| DrugBank | DB11446 |
| EPA CompTox | DTXSID9044112 |
| FDA SRS | OMP2H17F9E |
| Human Metabolome Database | HMDB0031812 |
| PubChem | 40854 |
| SureChEMBL | SCHEMBL44121 |
CONTENTS