ERK inhibitor II   Click here for help

GtoPdb Ligand ID: 5966

Synonyms: FR-180204 | FR180204
PDB Ligand
Compound class: Synthetic organic
Comment: FR180204 is a potent cell-permeable inhibitor of ERK1 and ERK2. It is much less effective against p38 MAPKα and does not inhibit a range of other serine/threonine or tyrosine kinases [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 97.78
Molecular weight 327.12
XLogP 3.5
No. Lipinski's rules broken 0
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Canonical SMILES Nc1[nH]nc2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1
Isomeric SMILES Nc1[nH]nc2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1
InChI InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase 1 Primary target of this compound Hs Inhibitor Inhibition 6.8 pKi - 3
pKi 6.8 (Ki 1.4x10-7 M) [3]
mitogen-activated protein kinase 3 Primary target of this compound Hs Inhibitor Inhibition 6.4 pKi - 3
pKi 6.4 (Ki 4.1x10-7 M) [3]