CX-6258   Click here for help

GtoPdb Ligand ID: 9368

Synonyms: compound 13 [PMID: 24900437] | CX6258
PDB Ligand
Compound class: Synthetic organic
Comment: CX-6258 is a non-selective but potent small molecule inhibitor of the PIM serine/threonine kinases [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 65.79
Molecular weight 461.15
XLogP 3.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)Nc2c1cc(Cl)cc2
Isomeric SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)Nc2c1cc(Cl)cc2
InChI InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
InChI Key KGBPLKOPSFDBOX-CJLVFECKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3E)-5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
Synonyms Click here for help
compound 13 [PMID: 24900437] | CX6258
Database Links Click here for help
BindingDB Ligand 50384714
CAS Registry No. 1202916-90-2 (source: PubChem)
ChEMBL Ligand CHEMBL2037200
GtoPdb PubChem SID 328083470
PubChem CID 44545852
RCSB PDB Ligand 9G5
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