SGC2085   

GtoPdb Ligand ID: 9259

Synonyms: compound 27 [PMID: 27390919]
Compound class: Synthetic organic
Comment: 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.
2D Structure
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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 3.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cc1cc(cc(c1)C)Oc1ccc(cc1C)CNC(=O)C(N)C
Isomeric SMILES Cc1cc(cc(c1)C)Oc1ccc(cc1C)CNC(=O)[C@@H](N)C
InChI InChI=1S/C19H24N2O2/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20/h5-10,15H,11,20H2,1-4H3,(H,21,22)/t15-/m0/s1
InChI Key GLFOFXKMALJTCZ-HNNXBMFYSA-N
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
GtoPdb PubChem SID 315661334
PubChem CID 121231417
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