Molecule Details
| InChIKey | GCBPAPVOMPJQHK-NQIIRXRSSA-N |
|---|---|
| Compound Name | N4-Hydroxy-2-isobutyl-N1-(9-oxo-1,8-diaza-tricyclo(10.6.1.013,18)nonadeca-12(19),13,15,17-tetraen-10-YL)-succinamide |
| Canonical SMILES | CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.26 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08489 |
|---|---|
| Drug Name | N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50086884 CHEMBL281795 ChemSpider: 419816 PDB: RRS PubChem:478379 PubChem:99444960 ZINC: ZINC000003811057
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 10.0 | Ki | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 10.0 | pIC50 | TTD_MultiTarget |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.7 | pIC50 | TTD_MultiTarget |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.4 | Ki | ChEMBL;BindingDB |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 8.5 | Ki | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.1 | Ki | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.7 | pIC50 | TTD_MultiTarget |
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 9.0 | Ki | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 9.0 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P09237 | MMP7 | Matrilysin | binder | targets |