compound 17f [PMID: 19632837]   Click here for help

GtoPdb Ligand ID: 7031

Synonyms: benzo[d]imidazole inhibitors of PRMT4 from BMS
Compound class: Synthetic organic
Comment: This compound is a selcetive inhibitor of PRMT4 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 62.41
Molecular weight 408.25
XLogP 3.23
No. Lipinski's rules broken 0
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Canonical SMILES CNCCN1CCC(CC1)c1cc(C)c2c(c1)[nH]c(n2)c1c(OC)cccc1OC
Isomeric SMILES CNCCN1CCC(CC1)c1cc(C)c2c(c1)[nH]c(n2)c1c(OC)cccc1OC
InChI InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
coactivator associated arginine methyltransferase 1 Hs Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 7x10-8 M) [1]