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)
Molecular Formula | C26H36N6O2 |
Molecular Weight | 464.603 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 |
|||
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
---|---|---|
Novel cross-talk within the IKK family controls innate immunity. | 2011 Feb 15 |
|
The role of TBK1 and IKKε in the expression and activation of Pellino 1. | 2011 Mar 15 |
|
Phosphorylation of CRTC3 by the salt-inducible kinases controls the interconversion of classically activated and regulatory macrophages. | 2012 Oct 16 |
|
Pharmacological inhibition of ULK1 kinase blocks mammalian target of rapamycin (mTOR)-dependent autophagy. | 2015 May 1 |
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.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:38:24 GMT 2023
by
admin
on
Sat Dec 16 12:38:24 GMT 2023
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Record UNII |
MEY37JZ4XR
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Record Status |
Validated (UNII)
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Record Version |
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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ACTIVE MOIETY |
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