Molecule Details
InChIKeyWICQDDCNCVTFDX-VJGNERBWSA-N
Compound Name(2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-yl)-N4-hydroxy-2-isobutyl-3-propylsuccinamide
Canonical SMILESCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)16
Pfam Stratification Cross-Family
Avg pChEMBL7.26
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (16)
Target Gene Organism Category Pfam pChEMBL Type Source
P78536 ADAM17 Homo sapiens Human PF16698 PF00200 PF13574 8.4 Ki ChEMBL;BindingDB
P14780 MMP9 Homo sapiens Human PF00040 PF00045 PF00413 8.3 Ki ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 8.2 pIC50 TTD_MultiTarget
P45452 MMP13 Homo sapiens Human PF00045 PF00413 PF01471 8.0 Ki ChEMBL;BindingDB
Q9ULZ9 MMP17 Homo sapiens Human PF00045 PF00413 PF01471 7.8 pIC50 TTD_MultiTarget
P03956 MMP1 Homo sapiens Human PF00045 PF00413 PF01471 7.7 Ki ChEMBL;BindingDB
P09238 MMP10 Homo sapiens Human PF00045 PF00413 PF01471 6.7 Ki ChEMBL;BindingDB
P05067 APP Homo sapiens Human PF10515 PF12924 PF12925 PF02177 PF03494 PF00014 6.7 IC50 ChEMBL;BindingDB
P49768 PSEN1 Homo sapiens Human PF01080 6.7 IC50 ChEMBL
P49810 PSEN2 Homo sapiens Human PF01080 6.7 IC50 ChEMBL
Q8WW43 APH1B Homo sapiens Human PF06105 6.7 IC50 ChEMBL
Q92542 NCSTN Homo sapiens Human PF18266 PF05450 6.7 IC50 ChEMBL
Q96BI3 APH1A Homo sapiens Human PF06105 6.7 IC50 ChEMBL
Q9NZ42 PSENEN Homo sapiens Human PF10251 6.7 IC50 ChEMBL
P09237 MMP7 Homo sapiens Human PF00413 PF01471 6.2 Ki ChEMBL;BindingDB
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 8.0 pIC50 TTD_MultiTarget