Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TWK220499Z

Structure

InChI Key XDSSPSLGNGIIHP-VKHMYHEASA-N
Smile C[Se]C[C@H](N)C(=O)O
InChI
InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9NO2Se
Molecular Weight 182.08
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 12.51
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -10.37--1.23

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Adenoma 1 D000236 ClinicalTrials

Cross References

Resources Reference
ChEBI 27812
ChEMBL CHEMBL62382
DrugBank DB12697
FDA SRS TWK220499Z
Human Metabolome Database HMDB04113
KEGG C05689
PubChem 147004
SureChEMBL SCHEMBL420015