TRICHOSTATIN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3X2S926L3Z

Structure
InChI Key RTKIYFITIVXBLE-QEQCGCAPSA-N
Smile CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1
InChI
InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22N2O3
Molecular Weight 302.37
AlogP 2.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 69.64
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1200 - 700 -
Enzyme
- 3-7 - 4-4 -
Epigenetic regulator Eraser Histone deacetylase HDAC class I
1000-6000 0-4740 - 45-200 18-100
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
1000-4000 1-430 - 400-14547 11-95
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
5 0-3600 - 0-3 4-100
Epigenetic regulator Eraser Histone deacetylase HDAC class III
- - 29000-33000 2000 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 1-430 - 401 33-98
Epigenetic regulator Writer Histone acetyltransferase SRC family
- - - 1 -
Membrane receptor
- 20-50 - - 60-60
Other nuclear protein
- 578-611 - - -
Surface antigen
- 20-50 - - 60-60
Unclassified protein
- 9-25 - 0-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEBI 46024
ChEMBL CHEMBL99
DrugBank DB04297
EPA CompTox DTXSID6037063
FDA SRS 3X2S926L3Z
Guide to Pharmacology 7005
PDB TSN
SureChEMBL SCHEMBL19886
ZINC ZINC000100014731
CONTENTS