Molecule Details
InChIKeyHEPINVNDBLHRTM-BDTNDASRSA-N
Compound Name(7S,8R,11S)-11-N-[2-(dimethylamino)ethyl]-7-N-hydroxy-8-(2-methylpropyl)-9-oxo-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
Canonical SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCN(C)C)Cc2ccc(cc2)OCCCC[C@@H]1C(=O)NO
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)6
Pfam Stratification Cross-Family
Avg pChEMBL8.17
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (6)
Target Gene Organism Category Pfam pChEMBL Type Source
P09237 MMP7 Homo sapiens Human PF00413 PF01471 8.4 IC50 ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 8.2 pIC50 TTD_MultiTarget
P03956 MMP1 Homo sapiens Human PF00045 PF00413 PF01471 8.2 IC50 ChEMBL;BindingDB
Q9ULZ9 MMP17 Homo sapiens Human PF00045 PF00413 PF01471 8.2 pIC50 TTD_MultiTarget
P08254 MMP3 Homo sapiens Human PF00045 PF00413 PF01471 7.9 IC50 ChEMBL;BindingDB
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 8.2 pIC50 TTD_MultiTarget