TACEDINALINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII UMF554N5FG
EPA CompTox DTXSID60150095

Structure

InChI Key VAZAPHZUAVEOMC-UHFFFAOYSA-N
Smiles CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1
InChI
InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15N3O2
Molecular Weight 269.3
AlogP 2.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 84.22
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Histone deacetylase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 41-900 - 50-550 42-81
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- - - - 42-81
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 18-81
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- - - - 42-81
Unclassified protein
- 190 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 41-900 - 50-550 7.3-81
Mus musculus
- - - - 18

Target Conservation

Protein: Histone deacetylase
Description: Histone deacetylase 3
Organism : Homo sapiens
O15379 ENSG00000171720
Protein: Histone deacetylase
Description: Histone deacetylase 1
Organism : Homo sapiens
Q13547 ENSG00000116478
Protein: Histone deacetylase
Description: Histone deacetylase 7
Organism : Homo sapiens
Q8WUI4 ENSG00000061273
Protein: Histone deacetylase
Description: Histone deacetylase 2
Organism : Homo sapiens
Q92769 ENSG00000196591
Protein: Histone deacetylase
Description: Polyamine deacetylase HDAC10
Organism : Homo sapiens
Q969S8 ENSG00000100429
Protein: Histone deacetylase
Description: Histone deacetylase 11
Organism : Homo sapiens
Q96DB2 ENSG00000163517
Protein: Histone deacetylase
Description: Histone deacetylase 8
Organism : Homo sapiens
Q9BY41 ENSG00000147099
Protein: Histone deacetylase
Description: Histone deacetylase 6
Organism : Homo sapiens
Q9UBN7 ENSG00000094631
Protein: Histone deacetylase
Description: Histone deacetylase 9
Organism : Homo sapiens
Q9UKV0 ENSG00000048052
Protein: Histone deacetylase
Description: Histone deacetylase 5
Organism : Homo sapiens
Q9UQL6 ENSG00000108840

Cross References

Resources Reference
ChEBI 90195
ChEMBL CHEMBL235191
DrugBank DB12291
FDA SRS UMF554N5FG
Guide to Pharmacology 8367
PubChem 2746
SureChEMBL SCHEMBL144794
ZINC ZINC000000003803
CONTENTS