Molecule Details
| InChIKey | RZXQBIKGWSLVEK-JCNLHEQBSA-N |
|---|---|
| Canonical SMILES | CC(C)N(c1cc(-c2ccccc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.52 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08279 |
|---|---|
| Drug Name | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 35554 CHEMBL561360 ChemSpider: 24626592 PDB: NN3 PubChem:503536 PubChem:99444750 ZINC: ZINC000100036573
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P26663 | Hepatitis C virus genotype 1b (isolate BK) | Pathogen | PF07652 PF01543 PF01542 PF01539 PF01560 PF01538 PF01006 PF01001 PF01506 PF08300 PF08301 PF12941 PF22027 PF02907 PF00998 | 7.6 | IC50 | BindingDB | |
| O39930 | NS5b | Hepacivirus hominis | Pathogen | PF00998 | 7.4 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P26663 | Genome polyprotein | binder | targets |