Molecule Details
InChIKeyWTXFMLFPFKCMHO-BTDFZRAWSA-N
Compound Namecyclo[Ala-Asu(CF3)(CF3)-Trp-bAla(3S-iBu)]
Canonical SMILESCC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.31
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q92769 HDAC2 Homo sapiens Human PF00850 7.5 IC50 ChEMBL;BindingDB
O15379 HDAC3 Homo sapiens Human PF00850 7.2 IC50 ChEMBL;BindingDB
Q9Y618 NCOR2 Homo sapiens Human PF15784 PF00249 7.2 IC50 ChEMBL