Molecule Details
InChIKeyKBRVEWFSDCONMH-UHFFFAOYSA-N
Compound NameN-{2-(1,4-Dioxa-spiro[4.5]dec-8-yl)-1-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-ethyl}-N-hydroxy-formamide
Canonical SMILESCc1cc(COc2ccc(S(=O)(=O)CC(CC3CCC4(CC3)OCCO4)N(O)C=O)cc2)c2ccccc2n1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.22
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P78536 ADAM17 Homo sapiens Human PF16698 PF00200 PF13574 7.2 IC50 ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 Clinical TTD_MultiTarget TTD_MultiTarget
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 Clinical TTD_MultiTarget TTD_MultiTarget