C108297

Ligand id: 9180

Name: C108297

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 82.04
Molecular weight 553.24
XLogP 5.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(2-methoxyethoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
Synonyms
Compound 52 [PMID:18226897]
Database Links
ChEMBL Ligand CHEMBL270575
PubChem CID 25110774
Search Google for chemical match using the InChIKey OMKDFVUMRKROMY-SSEXGKCCSA-N
Search Google for chemicals with the same backbone OMKDFVUMRKROMY
Search UniChem for chemical match using the InChIKey OMKDFVUMRKROMY-SSEXGKCCSA-N
Search UniChem for chemicals with the same backbone OMKDFVUMRKROMY
Comments
C108297 is a selective glucocorticoid receptor (GR) modulator, which attenuates obesity by reducing caloric intake and increasing lipolysis and fat oxidation. In addition, it attenuates inflammation by reduced macrophage infiltration and pro-inflammatory cytokine expression in white adipose tissue (WAT), as well as in vitro LPS-stimulated TNFα secretion in macrophage RAW 264.7 cells [2]. C108297 was originally reported as compound 52 [1].