Molecule Details
| InChIKey | OCSMOTCMPXTDND-OUAUKWLOSA-N |
|---|---|
| Compound Name | Marimastat |
| Canonical SMILES | CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.24 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00786 |
|---|---|
| Drug Name | Marimastat |
| CAS Number | 154039-60-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Used in the treatment of cancer, Marmiastat is an angiogenesis and metastasis inhibitor. As an angiogenesis inhibitor it limits the growth and production of blood vessels. As an antimetatstatic agent it prevents malignant cells from breaching the basement membranes. |
Categories: Amines Enzyme Inhibitors Hydroxy Acids Hydroxylamines Metalloendopeptidases, antagonists & inhibitors
Cross-references: BindingDB: 50063917 ChEBI: 50662 CHEMBL279785 ChemSpider: 106358 PDB: 097 PharmGKB: PA164748329 PubChem:119031 PubChem:46505547 Therapeutic Targets Database: DCL000005 Wikipedia: Marimastat ZINC: ZINC000001544157
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.4 | pIC50 | TTD_MultiTarget |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.2 | pIC50 | TTD_MultiTarget |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.8 | IC50 | ChEMBL;BindingDB |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 8.7 | IC50 | ChEMBL;BindingDB |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.7 | IC50 | ChEMBL;BindingDB |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.7 | IC50 | ChEMBL;BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.5 | IC50 | ChEMBL;BindingDB |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 8.4 | IC50 | ChEMBL;BindingDB |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 8.0 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.6 | IC50 | ChEMBL;BindingDB |
| O14672 | ADAM10 | Homo sapiens | Human | PF21299 PF00200 PF13574 | 7.3 | IC50 | BindingDB |
| P09238 | MMP10 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.2 | IC50 | ChEMBL |
| P01375 | TNF | Homo sapiens | Human | PF00229 | 6.0 | IC50 | ChEMBL |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.9 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (23)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08254 | MMP3 | Stromelysin-1 | antagonist | targets |
| P09237 | MMP7 | Matrilysin | antagonist | targets |
| P09238 | MMP10 | Stromelysin-2 | antagonist | targets |
| P24347 | MMP11 | Stromelysin-3 | antagonist | targets |
| O60882 | O60882 | Matrix metalloproteinase-20 | inhibitor | targets |
| O75900 | O75900 | Matrix metalloproteinase-23 | inhibitor | targets |
| P03956 | MMP1 | Interstitial collagenase | inhibitor | targets |
| P08253 | MMP2 | 72 kDa type IV collagenase | inhibitor | targets |
| P14780 | MMP9 | Matrix metalloproteinase-9 | inhibitor | targets |
| P22894 | MMP8 | Neutrophil collagenase | inhibitor | targets |
| P39900 | MMP12 | Macrophage metalloelastase | inhibitor | targets |
| P45452 | MMP13 | Collagenase 3 | inhibitor | targets |
| P50281 | MMP14 | Matrix metalloproteinase-14 | inhibitor | targets |
| P51511 | MMP15 | Matrix metalloproteinase-15 | inhibitor | targets |
| P51512 | MMP16 | Matrix metalloproteinase-16 | inhibitor | targets |
| Q8N119 | Q8N119 | Matrix metalloproteinase-21 | inhibitor | targets |
| Q99542 | Q99542 | Matrix metalloproteinase-19 | inhibitor | targets |
| Q9H239 | Q9H239 | Matrix metalloproteinase-28 | inhibitor | targets |
| Q9H306 | Q9H306 | Matrix metalloproteinase-27 | inhibitor | targets |
| Q9NPA2 | MMP25 | Matrix metalloproteinase-25 | inhibitor | targets |
| Q9NRE1 | MMP26 | Matrix metalloproteinase-26 | inhibitor | targets |
| Q9ULZ9 | MMP17 | Matrix metalloproteinase-17 | inhibitor | targets |
| Q9Y5R2 | Q9Y5R2 | Matrix metalloproteinase-24 | inhibitor | targets |