Molecule Details
InChIKeyKRZHNRULRHECRF-JQCUSGDOSA-N
Compound Name8-Hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
Canonical SMILESO=C(O)[C@@H]1C[C@]2(C(=O)O)C=C[C@@H](O)[C@@H](C2)O1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL9.4
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08648
Drug Name8-Hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan

Cross-references: BindingDB: 50173884 CHEMBL197577 ChemSpider: 392988 PDB: TSA PubChem:445314 PubChem:99445119 ZINC: ZINC000005851130
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P56524 HDAC4 Homo sapiens Human PF12203 PF00850 9.4 pIC50 TTD_MultiTarget
Q13547 HDAC1 Homo sapiens Human PF00850 9.4 pIC50 TTD_MultiTarget
Q92769 HDAC2 Homo sapiens Human PF00850 9.4 pIC50 TTD_MultiTarget
DrugBank Target Actions (3)
Target Gene Target Name Action Type
P0A9J8 P0A9J8 Bifunctional chorismate mutase/prephenate dehydratase binder targets
P19080 P19080 Chorismate mutase AroH binder targets
P9WIB9 Secreted chorismate mutase binder targets