EMD638683

Ligand id: 9407

Name: EMD638683

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 98.66
Molecular weight 364.12
XLogP 3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N'-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
Database Links
CAS Registry No. 1181770-72-8 (source: PubChem)
GtoPdb PubChem SID 328083509
PubChem CID 44182398
Search Google for chemical match using the InChIKey SSNAPUUWBPZGOY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SSNAPUUWBPZGOY
Search UniChem for chemical match using the InChIKey SSNAPUUWBPZGOY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SSNAPUUWBPZGOY
Comments
EMD638683 is a small molecule tool compound which somewhat selectively inhibits serum/glucocorticoid regulated kinase 1 (SGK1) [1]. We present the structure of EMD638683 without specified stereochemistry, as shown in this primary literature source.