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
SMILES / InChI / InChIKey
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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
InChI Key ONDYALNGTUAJDX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
International Nonproprietary Names Click here for help
INN number INN
8538 tasquinimod
Synonyms Click here for help
ABR-215050
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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Tocris
Tasquinimod
Cat. No. 7051