Details
Stereochemistry | ACHIRAL |
Molecular Formula | C26H36N6O2 |
Molecular Weight | 464.603 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C(NCCCNC1=C(C=NC(NC2=CC(CN3CCOCC3)=CC=C2)=N1)C4CC4)C5CCC5
InChI
InChIKey=UKBGBACORPRCGG-UHFFFAOYSA-N
InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/21204785Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/21138416 | https://www.ncbi.nlm.nih.gov/pubmed/23033494 | https://www.ncbi.nlm.nih.gov/pubmed/25833948
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21204785
Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/21138416 | https://www.ncbi.nlm.nih.gov/pubmed/23033494 | https://www.ncbi.nlm.nih.gov/pubmed/25833948
MRT 67307 dihydrochloride is a novel inhibitor of IKK-epsilon/TBK1. Negative regulation on the canonical IKKs may be critical in preventing the overproduction of the inflammatory mediators that lead to inflammatory and autoimmune diseases. In addition, it was demonstrated that MRT 67307 inhibits series of MARKs and salt inducible kinases (SIKs). SIKs prevent the formation of regulatory macrophages and their inhibition induces increasing in some markers of regulatory macrophages, such as IL-10 and other anti-inflammatory molecules. It is an inhibitor for ULK1and ULK2. ULK1, a serine/threonine protein kinase, is essential for the initial stages of autophagy. Cancer cells are thought to take advantage of autophagy to help them to cope with the stress of tumorigenesis; thus targeting autophagy is an attractive therapeutic approach.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL5408 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21138416 |
19.0 nM [IC50] | ||
Target ID: CHEMBL3529 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21138416 |
160.0 nM [IC50] | ||
Target ID: CHEMBL5940 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23033494 |
27.0 nM [IC50] | ||
Target ID: CHEMBL3831 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23033494 |
52.0 nM [IC50] | ||
Target ID: CHEMBL5600 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23033494 |
36.0 nM [IC50] | ||
Target ID: CHEMBL5754 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23033494 |
41.0 nM [IC50] | ||
Target ID: CHEMBL6082 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23033494 |
250.0 nM [IC50] | ||
Target ID: CHEMBL5699 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23033494 |
67.0 nM [IC50] | ||
Target ID: CHEMBL6149 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23033494 |
430.0 nM [IC50] | ||
Target ID: CHEMBL5784 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23033494 |
230.0 nM [IC50] | ||
Target ID: CHEMBL4578 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23033494 |
900.0 nM [IC50] | ||
Target ID: CHEMBL6006 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25833948 |
45.0 nM [IC50] | ||
Target ID: CHEMBL5435 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25833948 |
38.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21138416
Wild-type mouse embryonic fibroblasts (MEFs) were co-transfected with DNA encoding an NF-κB luciferase reporter construct and pTK-RL plasmid DNA. At 24 h post-transfection, the cells were incubated for 1 h without or with 2 uM MRT67307 prior to stimulation with 5 ng/ml IL-1α for the times indicated. MRT67307 enhanced IL-1-stimulated activation of NF-κB dependent gene transcription in wild-type MEFs.
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ACTIVE MOIETY