Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H19F3N6O |
Molecular Weight | 392.3783 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@@](C)(NC1=NC(=NC=C1)C2=CNC3=NC=CC=C23)C(=O)NCC(F)(F)F
InChI
InChIKey=ASUGUQWIHMTFJL-QGZVFWFLSA-N
InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1
Molecular Formula | C18H19F3N6O |
Molecular Weight | 392.3783 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2148 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26230873 |
2.5 nM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Palliative | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT01830985
Decernotinib is taken orally and its dose may be increased every 8 weeks in a stepwise fashion from 100 to 150 mg and from 150 to 200 mg.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25762693
Human T-Cells were plated plated in T75 tissue culture flasks at a density of 1*10(6)/ml. Cells were stimulated with 10 mg/ml phytohemagglutinin at 37C for 72 hours. After 72 hours, cells were detached from the flask by scraping, washed, and plated at a density of 1*10(5)/well in a 96-well plate. decernotinib (9.7 nM to 10 uM) was added, and plates were incubated for 30 minutes at 37C, followed by stimulation with human IL-2. Human B cells were thawed, washed, and resuspended in complete medium. Cells were plated onto a 96-well plate at a density of 2*10(5) cells/well. Decernotinib was added, and plates were incubated for 30 minutes at 37C, followed by stimulation with a combination of 10 ng/ml IL-4 and 1 ug/ml CD40.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 02:14:06 GMT 2023
by
admin
on
Sat Dec 16 02:14:06 GMT 2023
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Record UNII |
MZK2GP0RHK
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Record Status |
Validated (UNII)
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Record Version |
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NCI_THESAURUS |
C1967
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DB12566
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ZZ-20
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C132740
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CHEMBL3039513
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944842-54-0
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR | |||
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TARGET -> INHIBITOR | |||
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METABOLIC ENZYME -> SUBSTRATE | |||
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TARGET -> INHIBITOR | |||
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METABOLIC ENZYME -> INHIBITOR |
REVERSIBLE
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Related Record | Type | Details | ||
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METABOLITE -> PARENT |
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ACTIVE MOIETY |