santacruzamate A

Ligand id: 7916

Name: santacruzamate A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 67.43
Molecular weight 278.16
XLogP 3.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
Synonyms
CAY10683
Database Links
CAS Registry No. 1477949-42-0 (source: Scifinder)
ChEMBL Ligand CHEMBL3086767
PubChem CID 72946782
Search Google for chemical match using the InChIKey HTOYBIILVCHURC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HTOYBIILVCHURC
Search UniChem for chemical match using the InChIKey HTOYBIILVCHURC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HTOYBIILVCHURC
Comments
Santacruzamate A is a cytotoxin, isolated from a cyanobacterium resembling the genus Symploca. Chemically, it has structural features in similarity with the clinically approved histone deacetylase (HDAC) inhibitor vorinostat (aka SAHA), and like vorinostat, acts as a potent and selective HDAC inhibitor [1]. It exhibits selectivity for the type I HDAC, HDAC2 compared to type II HDACs.