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)
| Molecular Formula | C20H21F3N8O3S |
| Molecular Weight | 510.493 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
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
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2695 |
0.6 nM [IC50] | ||
Target ID: CHEMBL5469 |
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 |
|
| Interaction between focal adhesion kinase and Crk-associated tyrosine kinase substrate p130Cas. | 1995 Nov 7 |
|
| Focal adhesion kinase as a marker of invasive potential in differentiated human thyroid cancer. | 1996 Jan |
|
| Focal adhesion kinase and p53 signaling in cancer cells. | 2007 |
|
| The role of focal adhesion kinase in tumor initiation and progression. | 2009 Oct-Dec |
|
| Liver X receptors as regulators of macrophage inflammatory and metabolic pathways. | 2011 Aug |
|
| Role of focal adhesion kinase in regulating YB-1-mediated paclitaxel resistance in ovarian cancer. | 2013 Oct 2 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:27:16 GMT 2023
by
admin
on
Sat Dec 16 01:27:16 GMT 2023
|
| Record UNII |
53O87HA2QU
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C129825
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
||
|
NCI_THESAURUS |
C1742
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
||
|
FDA ORPHAN DRUG |
463514
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
||
|
NCI_THESAURUS |
C1967
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
CHEMBL3137331
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
1073154-85-4
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
53O87HA2QU
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
100000168455
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
9928
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
25117126
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
1345713-71-4
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
NO STRUCTURE GIVEN | |||
|
DTXSID901025937
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
SUB181837
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
DB12282
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
AB-92
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY | |||
|
C79809
Created by
admin on Sat Dec 16 01:27:16 GMT 2023 , Edited by admin on Sat Dec 16 01:27:16 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
SALT/SOLVATE -> PARENT | |||
|
TARGET -> INHIBITOR | |||
|
TARGET -> INHIBITOR |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
