TACEDINALINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: UMF554N5FG

Structure
InChI Key VAZAPHZUAVEOMC-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Histone deacetylase inhibitor PubMed
Primary Target
histone deacetylase 1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
3810 41-18220 - 190 42-81
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
3810 1810-6000 - - 42-81
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
3810 1810-6000 - - 42-81
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
3810 1810-6000 - - 42-81
Unclassified protein
- 190 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lung Neoplasms 3 D008175 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 112522-64-2
ChEBI 90195
ChEMBL CHEMBL235191
DrugBank DB12291
EPA CompTox DTXSID60150095
FDA SRS UMF554N5FG
Guide to Pharmacology 8367
PubChem 2746
SureChEMBL SCHEMBL144794
ZINC ZINC000000003803
CONTENTS