MNK1 inhibitor   Click here for help

GtoPdb Ligand ID: 6010

Synonyms: CGP 57380 | CGP-57380
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 92.51
Molecular weight 244.09
XLogP 2.03
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc(cc1)Nc1[nH]nc2c1c(N)ncn2
Isomeric SMILES Fc1ccc(cc1)Nc1[nH]nc2c1c(N)ncn2
InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
MAPK interacting serine/threonine kinase 1 Primary target of this compound Hs Inhibitor Inhibition 6.1 pIC50 - 3
pIC50 6.1 (IC50 8.7x10-7 M) [3]
MAPK interacting serine/threonine kinase 2 Hs Inhibitor Inhibition 5.8 pIC50 - 3
pIC50 5.8 (IC50 1.6x10-6 M) [3]