Molecule Details
InChIKeyOCSMOTCMPXTDND-OUAUKWLOSA-N
Compound NameMarimastat
Canonical SMILESCNC(=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 pChEMBL8.24
SourceBindingDB;ChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00786
Drug NameMarimastat
CAS Number154039-60-8
Groups investigational
ATC Codes nan
DescriptionUsed 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