Molecule Details
InChIKeyMAUHIMNCPWDQKJ-VNNZRSTGSA-N
Compound Name6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-isobutyl-8-(naphthalen-1-ylmethyl)-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-5-yl)hexanoic acid
Canonical SMILESCC(C)C[C@H]1CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCCC(=O)O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL6.57
SourceChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
Q02161 RHD Homo sapiens Human PF00909 6.8 pIC50 TTD_MultiTarget
Q13547 HDAC1 Homo sapiens Human PF00850 6.8 pIC50 TTD_MultiTarget
O15379 HDAC3 Homo sapiens Human PF00850 6.6 IC50 ChEMBL
Q9BY41 HDAC8 Homo sapiens Human PF00850 6.2 IC50 ChEMBL