Molecule Details
| InChIKey | KRCXZGYVOZSCSF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 9,9,9-trifluoro-8-oxo-N-phenylnonanamide |
| Canonical SMILES | O=C(CCCCCCC(=O)C(F)(F)F)Nc1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.73 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07553 |
|---|---|
| Drug Name | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50121062 CHEMBL113537 ChemSpider: 8058487 PDB: CF3 PubChem:9882812 PubChem:99444024 ZINC: ZINC000001553046
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75376 | NCOR1 | Homo sapiens | Human | PF15784 PF00249 | 8.0 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.9 | IC50 | ChEMBL |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.9 | IC50 | ChEMBL |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.8 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.5 | Ki | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.4 | IC50 | ChEMBL |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q70I53 | hdaH | Histone deacetylase-like amidohydrolase | binder | targets |
| P56524 | HDAC4 | Histone deacetylase 4 | inhibitor | targets |
| Q13547 | HDAC1 | Histone deacetylase 1 | inhibitor | targets |
| Q92769 | HDAC2 | Histone deacetylase 2 | inhibitor | targets |
| Q969S8 | HDAC10 | Polyamine deacetylase HDAC10 | inhibitor | targets |
| Q9BY41 | HDAC8 | Histone deacetylase 8 | inhibitor | targets |
| Q9UBN7 | HDAC6 | Protein deacetylase HDAC6 | inhibitor | targets |