Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H21F3N8O3S |
Molecular Weight | 510.493 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC(=O)C1=CC=C(NC2=NC=C(C(NCC3=NC=CN=C3N(C)S(C)(=O)=O)=N2)C(F)(F)F)C=C1
InChI
InChIKey=FWLMVFUGMHIOAA-UHFFFAOYSA-N
InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
DescriptionSources: https://web.archive.org/web/20170919024026/http://www.verastem.com:80/Verastem-Presentation.pdfCurator's Comment: description was created based on several sources, including: http://adisinsight.springer.com/drugs/800029399 | https://www.cancer.gov/publications/dictionaries/cancer-drug?cdrid=746096
Sources: https://web.archive.org/web/20170919024026/http://www.verastem.com:80/Verastem-Presentation.pdf
Curator's Comment: description was created based on several sources, including: http://adisinsight.springer.com/drugs/800029399 | https://www.cancer.gov/publications/dictionaries/cancer-drug?cdrid=746096
Defactinib is an oral, investigational drug candidate for the treatment of various solid tumors. Through dual inhibition of FAK and PYK2, defactinib targets key resistance mechanisms in the tumor microenvironment (TME), including limited local immune response, dense stroma, and resident cancer stem cells, that may limit the effectiveness of current and investigational treatments. Treatment-related adverse events are: unconjugated hyperbilirubinemia, fatigue and headache.
Originator
Sources: http://adisinsight.springer.com/drugs/800029399
Curator's Comment: # Pfizer
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2695 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25971297 |
0.6 nM [IC50] | ||
Target ID: CHEMBL5469 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26334219 |
0.6 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Sources: http://adisinsight.springer.com/drugs/800029399 DOI:10.1358/dof.2014.039.011.2235834 |
Primary | Unknown Approved UseUnknown |
||
Primary | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
---|---|---|
Autophosphorylation of the focal adhesion kinase, pp125FAK, directs SH2-dependent binding of pp60src. | 1994 Mar |
|
Focal adhesion kinase as a marker of invasive potential in differentiated human thyroid cancer. | 1996 Jan |
|
Liver X receptors as regulators of macrophage inflammatory and metabolic pathways. | 2011 Aug |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02004028
400 mg twice daily for 12, 21, or 35 days
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26334219
Defactinib produces potent in vitro inhibition of A431 epidermoid carcinoma cell-based FAK phosphorylation (IC50=3 nM).
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C129825
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NCI_THESAURUS |
C1742
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FDA ORPHAN DRUG |
463514
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NCI_THESAURUS |
C1967
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CHEMBL3137331
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1073154-85-4
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53O87HA2QU
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100000168455
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9928
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25117126
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1345713-71-4
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DTXSID901025937
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SUB181837
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DB12282
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AB-92
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C79809
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)