MW01   Click here for help

GtoPdb Ligand ID: 12974

Compound class: Synthetic organic
Comment: MW01 is reported as a kinase inhibitor [1], with inhibitory action at the cdc-like kinases CLK1, 2 and 4. It inhibits DNA damage-induced NF-κB-mediated expression of anti-apoptotic genes, principally via inhibition of CLK2 and CLK4 upstream of IKK. These two kinases appear to be involved in transmitting signals from the DNA damage sensor proteins ATM and PARP1 to IKKγ (and thence to NF-κB). MW01 sensitizes cancer cells to DNA damaging agents and increases p53-induced apoptosis.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 71.36
Molecular weight 346.34
XLogP 0.84
No. Lipinski's rules broken 0
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Canonical SMILES COC1=CC=C2C(=C1OC)C(=O)N3C4=CC=C(C=C4C5=C3C2=NC=C5)O
Isomeric SMILES COC1=CC=C2C3=C4N(C5=C(C=C(O)C=C5)C4=CC=N3)C(=O)C2=C1OC
InChI InChI=1S/C20H14N2O4/c1-25-15-6-4-12-16(19(15)26-2)20(24)22-14-5-3-10(23)9-13(14)11-7-8-21-17(12)18(11)22/h3-9,23H,1-2H3
Classification Click here for help
Compound class Synthetic organic
Database Links Click here for help
CAS Registry No. 904504-22-9 (source: PubChem)
GtoPdb PubChem SID 485206095
PubChem CID 8016395
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