RICOLINOSTAT

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Synonyms
Status
Molecule Category Free-form
UNII WKT909C62B
EPA CompTox DTXSID40157148

Structure

InChI Key QGZYDVAGYRLSKP-UHFFFAOYSA-N
Smiles O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO
InChI
InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27N5O3
Molecular Weight 433.51
AlogP 4.13
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 107.45
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Histone deacetylase 6 inhibitor INHIBITOR Other PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 14.3-379 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 2.59-194 - - -
Unclassified protein
- 37-90 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Danio rerio
- 90 - - -
Homo sapiens
0.85 2.59-902 - - -

Target Conservation

Protein: Histone deacetylase 6
Description: Histone deacetylase 6
Organism : Homo sapiens
Q9UBN7 ENSG00000094631

Cross References

Resources Reference
ChEBI 95073
ChEMBL CHEMBL2364628
DrugBank DB12376
FDA SRS WKT909C62B
Guide to Pharmacology 7010
PDB AH4
PubChem 53340666
SureChEMBL SCHEMBL574580
ZINC ZINC000089630354
CONTENTS