Detailed information for compound 731187

Basic information

Technical information
  • TDR Targets ID: 731187
  • Name: N-(2,3-dichlorophenyl)-2-[4-methyl-6-(trifluo romethyl)pyrimidin-2-yl]sulfanylacetamide
  • MW: 396.215 | Formula: C14H10Cl2F3N3OS
  • H donors: 1 H acceptors: 3 LogP: 4.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1Cl)Cl)CSc1nc(C)cc(n1)C(F)(F)F
  • InChi: 1S/C14H10Cl2F3N3OS/c1-7-5-10(14(17,18)19)22-13(20-7)24-6-11(23)21-9-4-2-3-8(15)12(9)16/h2-5H,6H2,1H3,(H,21,23)
  • InChiKey: FSEWSWOVFYEOHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,3-dichlorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide
  • N-(2,3-dichlorophenyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide
  • N-(2,3-dichlorophenyl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide
  • N-(2,3-dichlorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide
  • CBKinase1_023999
  • ZINC01064279
  • CBKinase1_011599

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
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0234 0.6727 0.8882
Schistosoma mansoni thyroid hormone receptor 0.0158 0.4329 0.4467
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0394 0.0394
Onchocerca volvulus 0.0277 0.8118 1
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.3878 0.5505
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.3878 0.3878
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0394 0.0394
Trichomonas vaginalis chromobox protein, putative 0.007 0.1516 0.1868
Loa Loa (eye worm) hypothetical protein 0.0049 0.0849 0.1205
Brugia malayi Pre-SET motif family protein 0.0035 0.0394 0.0559
Schistosoma mansoni chromobox protein 0.007 0.1516 0.1565
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0411 0.5
Plasmodium falciparum thioredoxin reductase 0.0102 0.2545 1
Echinococcus multilocularis chromobox protein 1 0.007 0.1516 0.1516
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.6727 0.89
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0411 0.0082
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0411 0.0082
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0411 1
Echinococcus granulosus expressed protein 0.0027 0.0127 0.0127
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.0411 1
Schistosoma mansoni hypothetical protein 0.0147 0.3954 0.408
Loa Loa (eye worm) acetyltransferase 0.0144 0.3878 0.5505
Schistosoma mansoni ferritin 0.0027 0.0127 0.0131
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.0411 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0534 0.0345
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0629 0.0466
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0411 0.1616
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0632 0.0779
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0244 0.7045 1
Schistosoma mansoni hypothetical protein 0.0024 0.0046 0.0048
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0632 0.1109
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.6727 0.89
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0411 0.1616
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.026 0.7558 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0988 0.2705
Trichomonas vaginalis ferritin, putative 0.0027 0.0127 0.0156
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0411 0.1616
Echinococcus multilocularis tumor protein p63 0.0336 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0147 0.3954 0.3954
Echinococcus multilocularis expressed protein 0.0027 0.0127 0.0127
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0102 0.2545 0.3367
Mycobacterium ulcerans bacterioferritin BfrB 0.0027 0.0127 0.3077
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0168 0.0206
Echinococcus granulosus chromobox protein 1 0.007 0.1516 0.1516
Onchocerca volvulus 0.0046 0.076 0.0633
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.052 0.0508
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0411 0.1616
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.6727 0.89
Echinococcus granulosus chromobox protein 1 0.007 0.1516 0.1516
Schistosoma mansoni ferritin light chain 0.0027 0.0127 0.0131
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0411 0.1616
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0849 0.0876
Echinococcus granulosus thioredoxin glutathione reductase 0.0102 0.2545 0.2545
Schistosoma mansoni apoferritin-2 0.0027 0.0127 0.0131
Echinococcus multilocularis ferritin 0.0027 0.0127 0.0127
Brugia malayi glutathione reductase 0.0102 0.2545 0.3612
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.026 0.7558 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0988 0.3884
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0411 0.1616
Treponema pallidum NADH oxidase 0.0036 0.0411 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0353 0.0353
Trichomonas vaginalis chromobox protein, putative 0.007 0.1516 0.1868
Echinococcus multilocularis chromobox protein 1 0.007 0.1516 0.1516
Schistosoma mansoni thyroid hormone receptor 0.0158 0.4329 0.4467
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0411 0.1616
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0988 0.2764
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0632 0.1109
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.3878 0.4002
Mycobacterium tuberculosis Probable oxidoreductase 0.026 0.7558 1
Plasmodium falciparum glutathione reductase 0.0102 0.2545 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0411 0.1616
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0534 0.0657
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0394 0.0406
Plasmodium vivax glutathione reductase, putative 0.0102 0.2545 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0158 0.4329 0.4329
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.6727 0.89
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0988 0.3884
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0411 0.1616
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.1516 0.2152
Brugia malayi hypothetical protein 0.0054 0.0988 0.1403
Echinococcus granulosus ferritin 0.0027 0.0127 0.0127
Onchocerca volvulus 0.0049 0.0849 0.0746
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0046 0.076 0.0784
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0411 0.1616
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0046 0.0046
Brugia malayi Pre-SET motif family protein 0.0244 0.7045 1
Mycobacterium ulcerans bacterioferritin BfrA 0.0027 0.0127 0.3077
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0394 0.0406
Schistosoma mansoni ferritin 0.0027 0.0127 0.0131
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0629 0.0775
Brugia malayi Heterochromatin protein 1 0.007 0.1516 0.2152
Schistosoma mansoni ferritin 0.0027 0.0127 0.0131
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0988 0.3884
Schistosoma mansoni ferritin 0.0027 0.0127 0.0131
Toxoplasma gondii thioredoxin reductase 0.0102 0.2545 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0411 0.0082
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0027 0.0127 0.0167
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0411 0.0584
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0147 0.3954 0.3954
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.0411 1
Trypanosoma cruzi trypanothione reductase, putative 0.0102 0.2545 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0394 0.0406
Leishmania major hypothetical protein, conserved 0.0054 0.0988 0.3884
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0411 0.0507
Loa Loa (eye worm) hypothetical protein 0.0054 0.0988 0.1403
Loa Loa (eye worm) hypothetical protein 0.0031 0.0263 0.0373
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0411 0.0424
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0988 0.2705
Brugia malayi chromobox protein homolog 3 0.0039 0.0534 0.0757
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0632 0.1109
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0411 0.1616
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0632 0.0632
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.6727 0.89
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.052 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0411 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0411 0.1616
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0988 0.2764
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.052 1
Plasmodium vivax thioredoxin reductase, putative 0.0102 0.2545 1
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0168 0.0206
Trypanosoma brucei trypanothione reductase 0.0102 0.2545 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0632 0.0779
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0111 0.0158
Loa Loa (eye worm) hypothetical protein 0.0035 0.0394 0.0559
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0411 0.1616
Echinococcus multilocularis thioredoxin glutathione reductase 0.0102 0.2545 0.2545
Mycobacterium tuberculosis Probable reductase 0.0234 0.6727 0.89
Trichomonas vaginalis set domain proteins, putative 0.0277 0.8118 1
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0629 0.0775
Loa Loa (eye worm) thioredoxin reductase 0.0102 0.2545 0.3612
Leishmania major trypanothione reductase 0.0102 0.2545 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0411 0.0411
Schistosoma mansoni ferritin light chain 0.0027 0.0127 0.0131
Brugia malayi Thioredoxin reductase 0.0102 0.2545 0.3612
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0411 0.1616
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0036 0.0411 0.0544
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0411 0.1616
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0411 0.0411
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0411 0.0082
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0046 0.0046
Brugia malayi hypothetical protein 0.0035 0.0383 0.0543
Schistosoma mansoni chromobox protein 0.007 0.1516 0.1565
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0411 0.1616
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0411 0.1616
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0111 0.0158
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0027 0.0127 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0534 0.0657
Schistosoma mansoni apoferritin-2 0.0027 0.0127 0.0131
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0394 0.0394
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0411 0.0507
Loa Loa (eye worm) glutathione reductase 0.0102 0.2545 0.3612
Loa Loa (eye worm) hypothetical protein 0.0039 0.0534 0.0757
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.026 0.7558 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.3749 0.3749
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0411 0.7916

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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