Details
Stereochemistry | ACHIRAL |
Molecular Formula | C24H27F3N8O3 |
Molecular Weight | 532.5182 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCN(CC1)C2=CC=C(OC(F)(F)F)C(NC3=NC4=C(CCC5=C4N(CCO)N=C5C(N)=O)C=N3)=C2
InChI
InChIKey=QHLVBNKYJGBCQJ-UHFFFAOYSA-N
InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)
Molecular Formula | C24H27F3N8O3 |
Molecular Weight | 532.5182 |
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/21470862
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21470862
NMS-P937 is a selective PLK1 inhibitor. It was developed by Nerviano Medical Sciences and tested in phase I clinical trials.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3024 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21470862 |
2.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT01014429
In phase I clinical trials NMS-P937 was administered orally.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20397705
Curator's Comment: referenced from https://www.ncbi.nlm.nih.gov/pubmed/22319201
Inhibition of Plk1 kinase activity was assessed using a Dowex resin capture technique. In this assay, 85 μM RCasein (Sigma) was phosphorylated by 3 nM Plk1 (2-345) in the presence of ATP (40 μM) traced with 33P-γ-ATP in kinase buffer (50mMHepes pH=7.9, 10mM beta glycerylphosphate, mMDTT, 3 μMNaVO3, 10 mM MgCl2, 0.2 mg/mL BSA) for min. By addition of an acidic suspension of Dowex resin SIGMA, custom-prepared resin Dowex 1 8200-400 mesh equilibrated in 150 mM sodium formate, pH = 3.0) the unreacted ATP was captured and separated from the supernatant which contained the phosphorylated substrate: this was then transferred into a new plate for radioactivity counting. The assay is run in a robotized format on 384-well plates.
Substance Class |
Chemical
Created
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admin
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Edited
Fri Dec 15 16:57:19 GMT 2023
by
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Fri Dec 15 16:57:19 GMT 2023
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Record UNII |
67RM91WDHQ
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Validated (UNII)
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NCI_THESAURUS |
C61074
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FDA ORPHAN DRUG |
602617
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NCI_THESAURUS |
C129825
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |