SGC2085

Ligand id: 9259

Name: SGC2085

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 64.35
Molecular weight 312.18
XLogP 4.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-N-{[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl}propanamide
Synonyms
compound 27 [PMID: 27390919]
Database Links
PubChem CID 121231417
Search Google for chemical match using the InChIKey GLFOFXKMALJTCZ-HNNXBMFYSA-N
Search Google for chemicals with the same backbone GLFOFXKMALJTCZ
Search UniChem for chemical match using the InChIKey GLFOFXKMALJTCZ-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone GLFOFXKMALJTCZ
Comments
SGC2085 is a selective inhibitor of the protein arginine N-methyltransferase, coactivator associated arginine methyltransferase 1, CARM1 (a.k.a. PRMT4) [1]. PRMT4 is reported to be involved in neoplastic transformation in colorectal cancer, and in estrogen-stimulated breast cancer growth. The selectivity of SGC2085 provides a useful tool compound to validate this PRMT as a therapeutic target.