Molecule Details
| InChIKey | BSIZUMJRKYHEBR-QGZVFWFLSA-N |
|---|---|
| Compound Name | Cgs-27023 |
| Canonical SMILES | COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.87 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07556 |
|---|---|
| Drug Name | CGS-27023 |
| CAS Number | 161314-70-1 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amides Amines Enzyme Inhibitors Hydroxy Acids Hydroxylamines Matrix Metalloproteinase Inhibitors Metalloendopeptidases, antagonists & inhibitors Protease Inhibitors Serine Protease Inhibitors Sulfones Sulfur Compounds
Cross-references: BindingDB: 8465 CHEMBL267178 ChemSpider: 393838 PDB: CGS PubChem:446504 PubChem:99444027
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9NPA2 | MMP25 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.8 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.7 | pIC50 | TTD_MultiTarget |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.6 | pIC50 | TTD_MultiTarget |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.4 | IC50 | ChEMBL;BindingDB |
| P51512 | MMP16 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 8.2 | IC50 | ChEMBL;BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.1 | IC50 | ChEMBL;BindingDB |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.1 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.7 | IC50 | ChEMBL;BindingDB |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 7.6 | IC50 | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | IC50 | ChEMBL;BindingDB |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 7.0 | IC50 | ChEMBL;BindingDB |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 6.6 | IC50 | ChEMBL;BindingDB |
| O14672 | ADAM10 | Homo sapiens | Human | PF21299 PF00200 PF13574 | 6.0 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.9 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P39900 | MMP12 | Macrophage metalloelastase | binder | targets |
| O75173 | ADAMTS4 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | inhibitor | targets |
| P00918 | CA2 | Carbonic anhydrase 2 | inhibitor | targets |
| P03956 | MMP1 | Interstitial collagenase | inhibitor | targets |
| P08253 | MMP2 | 72 kDa type IV collagenase | inhibitor | targets |
| P08254 | MMP3 | Stromelysin-1 | inhibitor | targets |
| P09237 | MMP7 | Matrilysin | inhibitor | targets |
| P14780 | MMP9 | Matrix metalloproteinase-9 | inhibitor | targets |
| P15917 | lef | Lethal factor | inhibitor | targets |
| P22894 | MMP8 | Neutrophil collagenase | inhibitor | targets |
| P45452 | MMP13 | Collagenase 3 | inhibitor | targets |
| P50281 | MMP14 | Matrix metalloproteinase-14 | inhibitor | targets |
| Q16790 | CA9 | Carbonic anhydrase 9 | inhibitor | targets |