Detailed information for compound 1922139

Basic information

Technical information
  • TDR Targets ID: 1922139
  • Name: 4-[[1-(3,4-dichlorophenyl)sulfonyl2,3-dihydro indole-6-carbonyl]amino]-2-fluorobenzoic acid
  • MW: 509.334 | Formula: C22H15Cl2FN2O5S
  • H donors: 2 H acceptors: 5 LogP: 4.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc2c(c1)N(CC2)S(=O)(=O)c1ccc(c(c1)Cl)Cl)Nc1ccc(c(c1)F)C(=O)O
  • InChi: 1S/C22H15Cl2FN2O5S/c23-17-6-4-15(11-18(17)24)33(31,32)27-8-7-12-1-2-13(9-20(12)27)21(28)26-14-3-5-16(22(29)30)19(25)10-14/h1-6,9-11H,7-8H2,(H,26,28)(H,29,30)
  • InChiKey: IOUWXGTYXJUJRE-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[[1-(3,4-dichlorophenyl)sulfonylindoline-6-carbonyl]amino]-2-fluoro-benzoic acid
  • 4-[[[1-(3,4-dichlorophenyl)sulfonyl-6-indolinyl]-oxomethyl]amino]-2-fluorobenzoic acid
  • 4-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]carbonylamino]-2-fluoro-benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carnitine palmitoyltransferase 2 Starlite/ChEMBL No references
Homo sapiens carnitine palmitoyltransferase 1A (liver) Starlite/ChEMBL No references
Rattus norvegicus Carnitine palmitoyltransferase 1A Starlite/ChEMBL No references
Homo sapiens carnitine palmitoyltransferase 1B (muscle) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129191 All targets in OG5_129191
Leishmania mexicana choline/Carnitine o-acyltransferase-like protein Get druggable targets OG5_129191 All targets in OG5_129191
Candida albicans C terminus of mitochondrial carnitine acetyltransferase Get druggable targets OG5_129195 All targets in OG5_129195
Leishmania donovani choline/Carnitine o-acyltransferase-like protein Get druggable targets OG5_129191 All targets in OG5_129191
Candida albicans N terminus of outer carnitine acetyltransferase Get druggable targets OG5_129195 All targets in OG5_129195
Leishmania braziliensis choline/Carnitine o-acyltransferase-like protein Get druggable targets OG5_129191 All targets in OG5_129191
Leishmania major carnitine palmitoyltransferase-like protein Get druggable targets OG5_129195 All targets in OG5_129195
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative Get druggable targets OG5_129191 All targets in OG5_129191
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative Get druggable targets OG5_129191 All targets in OG5_129191
Trypanosoma congolense carnitine O-palmitoyltransferase II, putative Get druggable targets OG5_129195 All targets in OG5_129195
Echinococcus granulosus carnitine O palmitoyltransferase 2 Get druggable targets OG5_129195 All targets in OG5_129195
Leishmania mexicana carnitine palmitoyltransferase-like protein Get druggable targets OG5_129195 All targets in OG5_129195
Brugia malayi Choline/Carnitine o-acyltransferase family protein Get druggable targets OG5_129195 All targets in OG5_129195
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative Get druggable targets OG5_129195 All targets in OG5_129195
Leishmania infantum choline/Carnitine o-acyltransferase-like protein Get druggable targets OG5_129191 All targets in OG5_129191
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver Get druggable targets OG5_129191 All targets in OG5_129191
Echinococcus multilocularis carnitine O palmitoyltransferase 2 Get druggable targets OG5_129195 All targets in OG5_129195
Candida albicans similar to mitochondrial outer carnitine acetyltransferase Get druggable targets OG5_129195 All targets in OG5_129195
Leishmania braziliensis carnitine palmitoyltransferase-like protein Get druggable targets OG5_129195 All targets in OG5_129195
Leishmania infantum carnitine palmitoyltransferase-like protein Get druggable targets OG5_129195 All targets in OG5_129195
Leishmania major choline/Carnitine o-acyltransferase-like protein Get druggable targets OG5_129191 All targets in OG5_129191
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative Get druggable targets OG5_129195 All targets in OG5_129195
Brugia malayi Choline/Carnitine o-acyltransferase family protein Get druggable targets OG5_129191 All targets in OG5_129191
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver Get druggable targets OG5_129191 All targets in OG5_129191
Candida albicans similar to mitochondrial outer carnitine acetyltransferase Get druggable targets OG5_129195 All targets in OG5_129195
Candida albicans N terminus of outer carnitine acetyltransferase Get druggable targets OG5_129195 All targets in OG5_129195
Leishmania donovani carnitine palmitoyltransferase-like protein Get druggable targets OG5_129195 All targets in OG5_129195
Loa Loa (eye worm) choline/Carnitine O-acyltransferase Get druggable targets OG5_129195 All targets in OG5_129195
Trypanosoma brucei gambiense carnitine O-palmitoyltransferase II, putative Get druggable targets OG5_129195 All targets in OG5_129195

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei carnitine O-acetyltransferase, putative carnitine palmitoyltransferase 2 658 aa 629 aa 30.7 %
Candida albicans similar to S. cerevisiae YAT2 putative carnitine O-acetyltransferase Carnitine palmitoyltransferase 1A   773 aa 645 aa 25.6 %
Onchocerca volvulus Carnitine palmitoyltransferase 1A   773 aa 758 aa 43.8 %
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative carnitine palmitoyltransferase 1B (muscle) 738 aa 617 aa 28.0 %
Candida albicans similar to S. cerevisiae YAT2 putative carnitine O-acetyltransferase Carnitine palmitoyltransferase 1A   773 aa 645 aa 25.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0406 0.4222 1
Loa Loa (eye worm) hypothetical protein 0.016 0.0754 0.0056
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0212 0.1482 0.0275
Loa Loa (eye worm) hypothetical protein 0.0212 0.1482 0.084
Loa Loa (eye worm) hypothetical protein 0.016 0.0754 0.0056
Echinococcus multilocularis endothelin converting enzyme 1 0.0212 0.1482 0.0807
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0195 0.1242 0.0581
Loa Loa (eye worm) hypothetical protein 0.016 0.0754 0.0056
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0406 0.4222 1
Toxoplasma gondii peptidase family M13 protein 0.0212 0.1482 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0195 0.1242 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0406 0.4222 1
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0212 0.1482 0.5
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0406 0.4222 1
Mycobacterium leprae probable zinc metalloprotease 0.0212 0.1482 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.0754 0.0056
Loa Loa (eye worm) hypothetical protein 0.016 0.0754 0.0056
Loa Loa (eye worm) hypothetical protein 0.0814 1 1
Mycobacterium ulcerans zinc metalloprotease 0.0212 0.1482 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0406 0.4222 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0212 0.1482 1
Loa Loa (eye worm) hypothetical protein 0.016 0.0754 0.0056
Loa Loa (eye worm) hypothetical protein 0.0212 0.1482 0.084
Brugia malayi Peptidase family M13 containing protein 0.0212 0.1482 0.0275
Echinococcus granulosus endothelin converting enzyme 1 0.0212 0.1482 0.0807
Loa Loa (eye worm) hypothetical protein 0.0212 0.1482 0.084

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0695 uM SUPPLEMENTARY SUPPLEMENTARY. No reference
IC50 (binding) = 0.1021 uM SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform ChEMBL. No reference
IC50 (binding) = 4.0733 uM SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform ChEMBL. No reference
IC50 (binding) = 11.4517 uM SUPPLEMENTARY SUPPLEMENTARY. No reference
IC50 (binding) = 22.4997 uM SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 2 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.

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