TUCIDINOSTAT

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Synonyms
Status
Molecule Category Free-form
UNII 87CIC980Y0

Structure

InChI Key SZMJVTADHFNAIS-BJMVGYQFSA-N
Smiles Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1
InChI
InChI=1S/C22H19FN4O2/c23-18-8-9-20(19(24)12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19FN4O2
Molecular Weight 390.42
AlogP 3.38
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 97.11
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 100-833 - - 90.9
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 100-235 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 400-760 - - -
Unclassified protein
- 330 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.2-870 - - 90.9

Cross References

Resources Reference
ChEBI 135918
ChEMBL CHEMBL3621988
DrugBank DB06334
DrugCentral 4973
FDA SRS 87CIC980Y0
PubChem 12136798
SureChEMBL SCHEMBL4483082
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