GW5074   Click here for help

GtoPdb Ligand ID: 8072

Synonyms: GW-5074 | Raf1 kinase inhibitor I
Compound class: Synthetic organic
Comment: GW5074 is a potent and selective inhibitor of Raf-1 proto-oncogene, serine/threonine kinase RAF1 (aka c-Raf) in vitro [1]. It was tested in preclinical studies.
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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 1
Topological polar surface area 49.33
Molecular weight 518.8
XLogP 5.36
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Ic1ccc2c(c1)C(=Cc1cc(Br)c(c(c1)Br)O)C(=O)N2
Isomeric SMILES Ic1ccc2c(c1)/C(=C/c1cc(Br)c(c(c1)Br)O)/C(=O)N2
InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
InChI Key LMXYVLFTZRPNRV-KMKOMSMNSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
Synonyms Click here for help
GW-5074 | Raf1 kinase inhibitor I
Database Links Click here for help
CAS Registry No. 220904-83-6
ChEMBL Ligand CHEMBL72365
GtoPdb PubChem SID 249565752
PubChem CID 5924208
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Tocris
GW 5074
Cat. No. 1381