ZM336372   Click here for help

GtoPdb Ligand ID: 9130

Synonyms: compound 1 [PMID: 15454231] | ZM 336372 | ZM-336372
Compound class: Synthetic organic
Comment: ZM336372 is an experimental inhibitor of RAF kinases [2].
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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 7
Topological polar surface area 81.67
Molecular weight 389.17
XLogP 3.99
No. Lipinski's rules broken 0
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Canonical SMILES Oc1ccc(cc1)C(=O)Nc1cc(ccc1C)NC(=O)c1cccc(c1)N(C)C
Isomeric SMILES Oc1ccc(cc1)C(=O)Nc1cc(ccc1C)NC(=O)c1cccc(c1)N(C)C
InChI InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Raf-1 proto-oncogene, serine/threonine kinase Hs Inhibitor Inhibition 7.2 – 7.5 pIC50 - 1,3
pIC50 7.2 – 7.5 (IC50 7x10-8 – 3.1x10-8 M) [1,3]