Detailed information for compound 1874341

Basic information

Technical information
  • TDR Targets ID: 1874341
  • Name: propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-[( 2,4,6-trimethylphenyl)sulfonylamino]naphthale n-2-yl]-3-oxobutanoate
  • MW: 537.548 | Formula: C26H26F3NO6S
  • H donors: 2 H acceptors: 5 LogP: 6.09 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(OC(=O)C(C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2c(C)cc(cc2C)C)c2c(c1O)cccc2)C
  • InChi: 1S/C26H26F3NO6S/c1-13(2)36-25(33)21(24(32)26(27,28)29)19-12-20(17-8-6-7-9-18(17)22(19)31)30-37(34,35)23-15(4)10-14(3)11-16(23)5/h6-13,21,30-31H,1-5H3
  • InChiKey: LATCUVNGESRTJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • isopropyl 4,4,4-trifluoro-2-[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-naphthyl]-3-oxo-butanoate
  • 4,4,4-trifluoro-2-[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-naphthyl]-3-oxobutanoic acid isopropyl ester
  • 4,4,4-trifluoro-2-[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-naphthyl]-3-keto-butyric acid isopropyl ester
  • propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-2-yl]-3-oxo-butanoate
  • EU-0044763
  • BAS 02105396

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0148 0.11 0.1642
Onchocerca volvulus 0.076 0.7657 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0194 0.1596 0.1794
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8438 1
Schistosoma mansoni hypothetical protein 0.0205 0.1707 0.1927
Loa Loa (eye worm) hypothetical protein 0.0671 0.6699 1
Loa Loa (eye worm) aminopeptidase N 0.0232 0.2003 0.299
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0089 0.0474 0.0448
Brugia malayi glutaminase DH11.1 0.033 0.305 0.3855
Loa Loa (eye worm) peptidase family M1 containing protein 0.0618 0.6128 0.9147
Loa Loa (eye worm) hypothetical protein 0.0089 0.0474 0.0707
Mycobacterium ulcerans glutaminase 0.033 0.305 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0232 0.2003 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0194 0.1596 0.1511
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0232 0.2003 0.2282
Loa Loa (eye worm) hypothetical protein 0.0089 0.0474 0.0707
Echinococcus multilocularis Kelch repeat type 1 0.0114 0.0741 0.0647
Echinococcus granulosus aminopeptidase N 0.076 0.7657 0.9063
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0232 0.2003 0.2282
Brugia malayi hypothetical protein 0.01 0.0592 0.0575
Brugia malayi hypothetical protein 0.0232 0.2003 0.2458
Schistosoma mansoni aminopeptidase A (M01 family) 0.0089 0.0474 0.0448
Onchocerca volvulus Huntingtin homolog 0.0148 0.11 0.1323
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Mycobacterium ulcerans aminopeptidase N PepN 0.0232 0.2003 0.5936
Echinococcus granulosus kelch ECH associated protein 1 like 0.0114 0.0737 0.0764
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0261 0.2313 0.2654
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8438 1
Echinococcus multilocularis kelch ECH associated protein 1 0.0114 0.0737 0.0643
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0232 0.2003 0.5936
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0194 0.1596 0.7339
Echinococcus granulosus leukotriene A 4 hydrolase 0.0193 0.1587 0.1783
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0232 0.2003 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0143 0.1045 0.0955
Onchocerca volvulus 0.0232 0.2003 0.2518
Loa Loa (eye worm) glutaminase 2 0.033 0.305 0.4553
Loa Loa (eye worm) hypothetical protein 0.0148 0.11 0.1642
Brugia malayi hypothetical protein 0.0104 0.0629 0.0625
Loa Loa (eye worm) hypothetical protein 0.01 0.0592 0.0884
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0089 0.0474 0.0448
Loa Loa (eye worm) hypothetical protein 0.0143 0.1045 0.156
Loa Loa (eye worm) glutaminase 0.033 0.305 0.4553
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.5495 0.647
Brugia malayi Peptidase family M1 containing protein 0.0232 0.2003 0.2458
Brugia malayi hypothetical protein 0.0089 0.0474 0.0418
Echinococcus multilocularis aminopeptidase N 0.076 0.7657 0.7633
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0089 0.0474 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0261 0.2313 0.2235
Onchocerca volvulus 0.0089 0.0474 0.0494
Schistosoma mansoni glutaminase 0.033 0.305 0.3538
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0232 0.2003 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0193 0.1587 0.1783
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0232 0.2003 1
Loa Loa (eye worm) TATA binding protein associated factor 0.0089 0.0474 0.0707
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0131 0.0924 1
Entamoeba histolytica aminopeptidase, putative 0.0232 0.2003 0.5
Echinococcus granulosus kelch ECH associated protein 1 0.0114 0.0737 0.0764
Brugia malayi Peptidase family M1 containing protein 0.076 0.7657 1
Brugia malayi TATA binding protein associated factor 0.0089 0.0474 0.0418
Trypanosoma cruzi Aminopeptidase M1, putative 0.0232 0.2003 1
Schistosoma mansoni hypothetical protein 0.0205 0.1707 0.1927
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0194 0.1596 0.7339
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0194 0.1596 0.7339
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.5495 0.5449
Brugia malayi prolyl oligopeptidase family protein 0.0194 0.1596 0.1915
Trichomonas vaginalis glutaminase, putative 0.033 0.305 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0089 0.0474 0.0448
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0232 0.2003 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0193 0.1587 0.2369
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0261 0.2313 0.2929
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.5495 0.5449
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0194 0.1596 0.7339
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0232 0.2003 0.2282
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0143 0.1045 0.1134
Trypanosoma cruzi aminopeptidase, putative 0.0232 0.2003 1
Brugia malayi prolyl oligopeptidase family protein 0.0261 0.2313 0.2872
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0261 0.2313 0.2654
Echinococcus granulosus Dipeptidyl peptidase 9 0.0194 0.1596 0.1794
Trypanosoma brucei Aminopeptidase M1, putative 0.0232 0.2003 1
Schistosoma mansoni hypothetical protein 0.0114 0.0741 0.0768
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0232 0.2003 0.1922
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0232 0.2003 0.2282
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8438 0.8422
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0089 0.0474 0.5
Echinococcus multilocularis geminin 0.0205 0.1707 0.1623
Echinococcus multilocularis kelch ECH associated protein 1 0.0114 0.0737 0.0643
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0232 0.2003 0.5936
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0161 0.024
Echinococcus granulosus geminin 0.0205 0.1707 0.1927
Onchocerca volvulus Huntingtin homolog 0.0148 0.11 0.1323
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0089 0.0474 0.5
Brugia malayi hypothetical protein 0.0148 0.11 0.1253
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0089 0.0474 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0261 0.2313 0.3453
Loa Loa (eye worm) hypothetical protein 0.0528 0.517 0.7717
Brugia malayi Peptidase family M1 containing protein 0.0089 0.0474 0.0418
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0193 0.1587 0.1502
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0232 0.2003 0.2282
Loa Loa (eye worm) hypothetical protein 0.006 0.0161 0.024
Loa Loa (eye worm) hypothetical protein 0.0143 0.1045 0.156
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0194 0.1596 0.7339
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0232 0.2003 0.2282
Echinococcus granulosus neuropeptide s receptor 0.0558 0.5495 0.647
Loa Loa (eye worm) hypothetical protein 0.0094 0.052 0.0777
Echinococcus granulosus kelch ECH associated protein 1 like 0.0114 0.0737 0.0764
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0143 0.1045 0.3737
Loa Loa (eye worm) hypothetical protein 0.0089 0.0474 0.0707

Activities

Activity type Activity value Assay description Source Reference
Max_Delta_Tm (binding) 19.5 uM PubChem BioAssay. Thermal shift assay to identify compound binding to Kelch domain of Keap1 protein Measured in Biochemical System Using RT-PCR - 2119-02_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.