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Chemical structure of PRMT3 inhibitor 1 - Compound 1

GB40332

PRMT3 inhibitor 1 - Compound 1

Also known as 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohexen-1-yl)ethyl]urea

Allosteric inhibitor of protein arginine methyltransferase 3 (PRMT3; IC50 value of 1·6 μM for inhibition of full length PRMT3 in a radioactivity-based assay)· PRMT3 inhibitor 1 showed no inhibitory activity on any of the PKMTs G9a, EHMT1, SUV39H2, SETD7, and SETD8, and PRMTs PRMT1, PRMT4, PRMT5, and PRMT8·The allosteric binding site of compound 1 was localized by site-directed mutagenesis of PRMT3 and X-ray crystallography

ChemicalCAS1340875-03-7MW302.39FormulaC15H18N4OS
CAS number
1340875-03-7
Molecular weight
302.39
Formula
C15H18N4OS
InChIKey
GGXCUZHEJUJACD-UHFFFAOYSA-N
Catalogue number
GB40332
Brand
GLPBIO
Computed properties PubChem CID 53346504 · XLogP 2.9 · TPSA 95.2 Ų · H-bond donors 2
XLogP
2.9
TPSA
95.2 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

SMILES C1CCC(=CC1)CCNC(=O)NC2=CC3=C(C=C2)N=NS3

Computed descriptors from PubChem (CID 53346504), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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