Molecule Details
InChIKeyITADELAVAWJACR-UHFFFAOYSA-N
Compound Name13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-triene-5-carboxamide
Canonical SMILESNC(=O)CC1CCCc2sc3nc(C(=O)NCc4ccc5c(c4)NC(=O)CO5)[nH]c(=O)c3c21
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL7.87
SourceChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P22894 MMP8 Homo sapiens Human PF00045 PF00413 PF01471 8.1 IC50 ChEMBL
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 7.6 pIC50 TTD_MultiTarget