Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H24N8O4S.CH4O3S |
Molecular Weight | 604.659 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.COC1=CC=C(C=N1)C2=NC(N3CCOCC3)=C4SC(CN(C)C5=NC=C(C=N5)C(=O)NO)=CC4=N2
InChI
InChIKey=CFLAKAHRZMPILU-UHFFFAOYSA-N
InChI=1S/C23H24N8O4S.CH4O3S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14;1-5(2,3)4/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32);1H3,(H,2,3,4)
DescriptionSources: http://www.curis.com/pipeline/cudc-907Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/22693356
Sources: http://www.curis.com/pipeline/cudc-907
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/22693356
CUDC-907 is a small molecule inhibitor of histone deacetylase and PI3 kinase developed by Curis. It is investigated in clinical trials for the treatment of relapsed or refractory lymphomas, thyroid cancer, multiple myeloma, breast cancer and other malignancies.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL325 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356 |
1.7 nM [IC50] | ||
Target ID: CHEMBL1829 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356 |
1.8 nM [IC50] | ||
Target ID: CHEMBL5103 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356 |
2.8 nM [IC50] | ||
Target ID: P42336 Gene ID: 5290.0 Gene Symbol: PIK3CA Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356 |
19.0 nM [IC50] | ||
Target ID: O00329 Gene ID: 5293.0 Gene Symbol: PIK3CD Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356 |
39.0 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 |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27049457
The recommended dose for phase 2 clinical trial is 60 mg on the 5/2 dosing schedule.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356
Human cancer cell lines were purchased from American Type Culture Collection (Manassas, VA) and plated at densities of 5,000 to 10,000 per well in 96-well flat-bottomed plates with the recommended culture medium. The cells were then incubated with compounds at various concentrations for 72 hours in culture medium supplemented with 0.5% (v/v) FBS. Growth inhibition was assessed by assay of cellular ATP content using the Perkin-Elmer ATPlite kit. CUDC-907 inhibits the growth of cell lines with IC50 of 10-100 nM.
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ACTIVE MOIETY
SUBSTANCE RECORD