BIX02189   

GtoPdb Ligand ID: 9380

Synonyms: BIX 02189 | BIX-02189
Compound class: Synthetic organic
Comment: BIX02189 is an experimental, small molecule inhibitor of mitogen-activated protein kinase kinase 5 (MEK5; MAP2K5) [1]. It is more potent than BIX02188, described in the same article. Also inhibits ERK5 (MAPK7).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 64.68
Molecular weight 440.22
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN(Cc1cccc(c1)NC(=C1C(=O)Nc2c1ccc(c2)C(=O)N(C)C)c1ccccc1)C
Isomeric SMILES CN(Cc1cccc(c1)N/C(=C/1\C(=O)Nc2c1ccc(c2)C(=O)N(C)C)/c1ccccc1)C
InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,28H,17H2,1-4H3,(H,29,32)/b25-24-
InChI Key HOMJAAIVTDVQJA-IZHYLOQSSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide
Synonyms
BIX 02189 | BIX-02189
Database Links
GtoPdb PubChem SID 328083482
PubChem CID 46931012
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Tocris
BIX 02189
Cat. No. 4842