GDC-0879   Click here for help

GtoPdb Ligand ID: 5681

Synonyms: AR 00341677 | AR00341677 | GDC 0879 | GDC0879
PDB Ligand
Compound class: Synthetic organic
Comment: GDC-0879 is an inhibitor of B-Raf proto-oncogene (BRAF), serine/threonine kinase [2]. It was a preclinical lead compound. PubChem includes four alternative tautomeric forms of this compound. Most sources are linked to CID 11717001 but some assay resulls are linked to CID 57519545. This has a Probe Portal entry SGC GDC-0879
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 83.53
Molecular weight 334.14
XLogP 2.15
No. Lipinski's rules broken 0
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Canonical SMILES OCCn1cc(c(n1)c1ccncc1)c1ccc2c(c1)CCC2=NO
Isomeric SMILES OCCn1cc(c(n1)c1ccncc1)c1ccc2c(c1)CC/C/2=N\O
InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+

Large-scale screening data

DiscoveRx KINOMEscan® screen Click here for help
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
Reference: 1,3

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
B-Raf proto-oncogene, serine/threonine kinase BRAF(V600E) Hs Inhibitor Inhibition 9.7 pKd
B-Raf proto-oncogene, serine/threonine kinase BRAF Hs Inhibitor Inhibition 9.7 pKd
Raf-1 proto-oncogene, serine/threonine kinase RAF1 Hs Inhibitor Inhibition 8.2 pKd
casein kinase 1 epsilon CSNK1E Hs Inhibitor Inhibition 6.9 pKd
mitogen-activated protein kinase kinase kinase 19 YSK4 Hs Inhibitor Inhibition 6.0 pKd
misshapen like kinase 1 MINK Hs Inhibitor Inhibition 6.0 pKd
RIO kinase 2 RIOK2 Hs Inhibitor Inhibition 5.9 pKd
serine/threonine kinase 10 LOK Hs Inhibitor Inhibition 5.9 pKd
STE20 like kinase SLK Hs Inhibitor Inhibition 5.9 pKd
casein kinase 1 delta CSNK1D Hs Inhibitor Inhibition 5.8 pKd
Displaying the top 10 targets  View all targets in screen »