tasquinimod   Click here for help

GtoPdb Ligand ID: 8098

Synonyms: ABR-215050
Compound class: Synthetic organic
Comment: Tasquinimod is an orally active allosteric inhibitor of HDAC4 [1]. It has antiangiogenic effects.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 71.77
Molecular weight 406.11
XLogP 4.85
No. Lipinski's rules broken 0
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Canonical SMILES COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C
Isomeric SMILES COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C
InChI InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8538 tasquinimod
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 254964-60-8
ChEMBL Ligand CHEMBL2107784
GtoPdb PubChem SID 249565778
PubChem CID 54682876
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UniChem Compound Search for chemical match using the InChIKey ONDYALNGTUAJDX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ONDYALNGTUAJDX-UHFFFAOYSA-N
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Tasquinimod (links to external site)
Cat. No. 7051