Molecule Details
InChIKeyPDRHOJIVDMXSPA-UWOJMYESSA-N
Compound NameN-[2-[2-[[(2Z)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-6-[(E)-[(19S)-19-ethyl-7,19-dihydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl]methylideneamino]oxyhexanamide
Canonical SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2/C=N/OCCCCCC(=O)NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N\O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.01
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q969S8 HDAC10 Homo sapiens Human PF00850 8.0 IC50 ChEMBL;BindingDB
Q13547 HDAC1 Homo sapiens Human PF00850 6.6 IC50 ChEMBL;BindingDB
Q92769 HDAC2 Homo sapiens Human PF00850 6.4 IC50 ChEMBL;BindingDB