Molecule Details
InChIKeyMAPLEBZZVBOXKC-OAQYLSRUSA-N
Compound Name(2R)-2-[7-[(3,5-dimethoxyphenyl)methylamino]-1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl]-N-hydroxy-4-methylpentanamide
Canonical SMILESCOc1cc(CNc2ccc3c(c2)NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.94
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P78536 ADAM17 Homo sapiens Human PF16698 PF00200 PF13574 7.2 Ki ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 7.1 pIC50 TTD_MultiTarget
P14780 MMP9 Homo sapiens Human PF00040 PF00045 PF00413 6.5 Ki ChEMBL;BindingDB