MK2a inhibitor   Click here for help

GtoPdb Ligand ID: 6009

Synonyms: CMPD1 | MAPKAPK2a inhibitor
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 49.33
Molecular weight 349.15
XLogP 5.24
No. Lipinski's rules broken 1
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Canonical SMILES O=C(Nc1ccc(cc1)O)CCCc1ccc(cc1)c1ccccc1F
Isomeric SMILES O=C(Nc1ccc(cc1)O)CCCc1ccc(cc1)c1ccccc1F
InChI InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
MAPK activated protein kinase 2 Primary target of this compound Hs Inhibitor Inhibition 6.5 pKi - 2
pKi 6.5 (Ki 3.3x10-7 M) [2]