| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 5V2JDO056X |
Structure
| InChI Key | YNJBWRMUSHSURL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2HCl3O2 |
| Molecular Weight | 163.39 |
| AlogP | 1.44 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 7.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 18.29 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Acne Vulgaris | 3 | D000152 | ClinicalTrials |
| Cicatrix | 2 | D002921 | ClinicalTrials |
| Condylomata Acuminata | 2 | D003218 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 30956 |
| ChEMBL | CHEMBL14053 |
| DrugCentral | 3627 |
| EPA CompTox | DTXSID1021378 |
| FDA SRS | 5V2JDO056X |
| Human Metabolome Database | HMDB42048 |
| KEGG | C11150 |
| PubChem | 23223116 |
| SureChEMBL | SCHEMBL3220 |
| ZINC | ZINC000003791092 |
CONTENTS