GDC-0623   Click here for help

GtoPdb Ligand ID: 9909

Synonyms: G-868 | GDC 0623 | GDC0623 | RG-7421 | RG7421
PDB Ligand
Compound class: Synthetic organic
Comment: GDC-0623 (RG-7420) is an ATP-uncompetitive MEK1 inhibitor that was developed by Genentech for anti-cancer potential [3]. The structure of GDC-0623 was disclosed for the first time in 'Supplementary Figure 1a' provided with Hatzivassiliou et al. (2013) [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 87.89
Molecular weight 456.01
XLogP 4.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2
Isomeric SMILES OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2
InChI InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
InChI Key RFWVETIZUQEJEF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
G-868 | GDC 0623 | GDC0623 | RG-7421 | RG7421
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9657560
Reactome Reaction Reactome logo R-HSA-9657599
Other databases
GtoPdb PubChem SID 363894203
RCSB PDB Ligand LCJ
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