Detailed information for compound 662631

Basic information

Technical information
  • TDR Targets ID: 662631
  • Name: 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2- yl]-2-nitrobenzamide
  • MW: 377.777 | Formula: C16H9ClFN3O3S
  • H donors: 1 H acceptors: 4 LogP: 4.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1csc(n1)NC(=O)c1ccc(cc1[N+](=O)[O-])Cl
  • InChi: 1S/C16H9ClFN3O3S/c17-10-3-6-12(14(7-10)21(23)24)15(22)20-16-19-13(8-25-16)9-1-4-11(18)5-2-9/h1-8H,(H,19,20,22)
  • InChiKey: JTUCSLHLSJDJSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-[4-(4-fluorophenyl)thiazol-2-yl]-2-nitro-benzamide
  • 4-chloro-N-[4-(4-fluorophenyl)-2-thiazolyl]-2-nitrobenzamide
  • 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-nitro-benzamide
  • IVK/8093621
  • ZINC01114541

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) glutathione reductase 0.0046 0.1249 0.0885
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0179 0.9598 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.185 0.0687
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0179 0.9598 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.3147 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.185 0.072
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.185 0.0687
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.185 0.072
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.185 0.0687
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.5707 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.3147 0.5514
Brugia malayi Probable ClpP-like protease 0.0076 0.3147 0.2958
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.185 0.5879
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0179 0.9598 0.9579
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.4968 0.8534
Schistosoma mansoni hypothetical protein 0.0186 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.3147 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.185 0.072
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.3147 1
Brugia malayi Thioredoxin reductase 0.0046 0.1249 0.0885
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.4968 0.8534
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.4968 0.8705
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.4968 0.8534
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.185 0.0687
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.185 0.072
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1249 0.0885
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.3147 0.2169
Toxoplasma gondii thioredoxin reductase 0.0046 0.1249 0.3969
Loa Loa (eye worm) hypothetical protein 0.0092 0.4132 0.4033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1407 0.1057
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.3147 0.2169
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.185 0.072
Loa Loa (eye worm) hypothetical protein 0.0049 0.1407 0.1057
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.1493 0.2616
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0092 0.4132 0.3863
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1407 0.1057
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.4968 0.8534
Loa Loa (eye worm) hypothetical protein 0.0179 0.9598 1
Plasmodium falciparum protease, putative 0.0037 0.0668 0.2121
Entamoeba histolytica CAAX prenyl protease family 0.0179 0.9598 1
Toxoplasma gondii hypothetical protein 0.0037 0.0668 0.2121
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1249 0.3969
Loa Loa (eye worm) hypothetical protein 0.009 0.4026 0.3917
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.185 0.1477
Echinococcus multilocularis CAAX prenyl protease 2 0.0179 0.9598 0.954
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.185 0.1542
Echinococcus multilocularis geminin 0.0186 1 1
Trypanosoma brucei protein kinase, putative 0.0056 0.185 0.072
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0179 0.9598 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.1493 0.0279
Brugia malayi CAAX amino terminal protease family protein 0.0179 0.9598 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0179 0.9598 0.9579
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.3147 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0092 0.4132 0.3863
Giardia lamblia Hypothetical protein 0.0179 0.9598 1
Brugia malayi glutathione reductase 0.0046 0.1249 0.0885
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.3147 1
Toxoplasma gondii hypothetical protein 0.0037 0.0668 0.2121
Trypanosoma brucei CAAX amino terminal protease, putative 0.0179 0.9598 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.009 0.4026 0.3761
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.185 0.072
Loa Loa (eye worm) hypothetical protein 0.0076 0.3147 0.2958
Plasmodium falciparum thioredoxin reductase 0.0046 0.1249 0.3969
Brugia malayi Trypsin family protein 0.0092 0.4132 0.4033
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.1493 0.1638
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.185 0.072
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1407 0.1057
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.3147 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.009 0.4026 0.3761
Mycobacterium tuberculosis Probable reductase 0.0105 0.4968 0.8534
Toxoplasma gondii CAAX amino terminal protease family protein 0.0037 0.0668 0.2121
Schistosoma mansoni hypothetical protein 0.0186 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.3147 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.5707 1
Echinococcus granulosus peptidase Clp S14 family 0.005 0.1493 0.0279
Plasmodium vivax protease, putative 0.0037 0.0668 0.2121
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.3147 1
Plasmodium falciparum glutathione reductase 0.0046 0.1249 0.3969
Echinococcus granulosus CAAX prenyl protease 2 0.0179 0.9598 0.954
Onchocerca volvulus 0.0092 0.4132 1
Treponema pallidum hypothetical protein 0.0037 0.0668 0.2121
Plasmodium vivax glutathione reductase, putative 0.0046 0.1249 0.3969
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.5707 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0179 0.9598 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.4968 0.8534
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.5707 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.3147 0.2833
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.3147 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1249 0.1154
Loa Loa (eye worm) hypothetical protein 0.0092 0.4132 0.4033
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.3147 1
Brugia malayi MAP kinase sur-1 0.0056 0.185 0.1542
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.1493 0.1638

Activities

No activities found for this compound.

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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