Molecule Details
| InChIKey | ROSNVSQTEGHUKU-UHFFFAOYSA-N |
|---|---|
| Compound Name | Cts-1027 |
| Canonical SMILES | O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.52 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08490 |
|---|---|
| Drug Name | CTS-1027 |
| CAS Number | 193022-04-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | CTS-1027 has been used in trials studying the treatment of Hepatitis C and Chronic Hepatitis C Virus Infection. |
Categories: Amines Hydroxy Acids Hydroxylamines
Cross-references: BindingDB: 11863 CHEMBL440498 ChemSpider: 2588963 PDB: RS1 PubChem:3342298 PubChem:99444961 ZINC: ZINC000001488366
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 10.1 | IC50 | ChEMBL;BindingDB |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 10.0 | IC50 | ChEMBL;BindingDB |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.3 | IC50 | ChEMBL;BindingDB |
| P09238 | MMP10 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.3 | IC50 | ChEMBL;BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.3 | IC50 | ChEMBL;BindingDB |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 9.0 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.2 | IC50 | ChEMBL;BindingDB |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 7.8 | IC50 | ChEMBL;BindingDB |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.6 | pIC50 | TTD_MultiTarget |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.5 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.6 | pIC50 | TTD_MultiTarget |