AX15836   Click here for help

GtoPdb Ligand ID: 11980

Synonyms: AX-15836 | compound A10 [PMID: 27679845]
Compound class: Synthetic organic
Comment: AX15836 is reported as a selective inhibitor of ERK5 (mitogen-activated protein kinase 7; MAPK7) [2]. It was designed to inhibit the catalytic function of ERK5, to offer potential for use in inflammation and oncology. AX15836 has also been reported to activate ERK5 transcriptional activity [1], which paradoxically elevates ERK5 signalling,
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 143.28
Molecular weight 648.28
XLogP 4.12
No. Lipinski's rules broken 0
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Canonical SMILES CCOc1cc(ccc1Nc1ncc2c(n1)n(c1ccccc1c(=O)n2C)S(=O)(=O)C)C(=O)N1CCC(CC1)N1CCN(CC1)C
Isomeric SMILES C(C)Oc1c(ccc(c1)C(=O)N1CCC(CC1)N1CCN(CC1)C)Nc1ncc2n(c(=O)c3c(n(c2n1)S(=O)(=O)C)cccc3)C
InChI InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AX-15836 | compound A10 [PMID: 27679845]
Database Links Click here for help
BindingDB Ligand 50508013
CAS Registry No. 2035509-96-5 (source: PubChem)
ChEMBL Ligand CHEMBL4541479
GtoPdb PubChem SID 464244121
PubChem CID 122705989
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UniChem Compound Search for chemical match using the InChIKey HTFNVAVTYILUCF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HTFNVAVTYILUCF-UHFFFAOYSA-N