| Synonyms: | |
| Status: | Approved (2014) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | J05AP09 |
| UNII: | DE54EQW8T1 |
Structure
| InChI Key | NBRBXGKOEOGLOI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H27N3O5S |
| Molecular Weight | 493.59 |
| AlogP | 4.02 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 110.26 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 35.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
2 | - | - | - | - | |
|
Unclassified protein
|
- | 15600 | - | 4710 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hepatitis C, Chronic | 3 | D019698 | ClinicalTrials |
| Hepatitis C | 3 | D006526 | ClinicalTrials |
| Hepatitis B, Chronic | 2 | D019694 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1132935-63-7 |
| ChEBI | 85182 |
| ChEMBL | CHEMBL3137312 |
| DrugBank | DB09183 |
| DrugCentral | 4914 |
| FDA SRS | DE54EQW8T1 |
| Guide to Pharmacology | 11270 |
| PharmGKB | PA166163411 |
| PubChem | 56640146 |
| SureChEMBL | SCHEMBL351053 |
| ZINC | ZINC000095616937 |
CONTENTS