Detailed information for compound 620114

Basic information

Technical information
  • TDR Targets ID: 620114
  • Name: N-(4-chlorophenyl)-2-[1-(3,5-dimethylphenyl)i midazol-2-yl]sulfanylacetamide
  • MW: 371.884 | Formula: C19H18ClN3OS
  • H donors: 1 H acceptors: 2 LogP: 4.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)CSc1nccn1c1cc(C)cc(c1)C
  • InChi: 1S/C19H18ClN3OS/c1-13-9-14(2)11-17(10-13)23-8-7-21-19(23)25-12-18(24)22-16-5-3-15(20)4-6-16/h3-11H,12H2,1-2H3,(H,22,24)
  • InChiKey: DKOWAQXPHBGQJA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-chlorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide
  • N-(4-chlorophenyl)-2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]acetamide
  • N-(4-chlorophenyl)-2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetamide
  • N-(4-chlorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide
  • ZINC02723100
  • EU-0024504

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
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0382 0.4227
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0587 0.1718
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0027 0.0382 0.0309
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0677 0.0397
Entamoeba histolytica hypothetical protein 0.0035 0.0676 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0587 0.693
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0215 0.698 0.8869
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0587 0.693
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0676 0.1234
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0623 0.1856
Giardia lamblia Heat shock protein HSP 90-alpha 0.0034 0.0623 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0677 0.0851
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0677 0.2065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1011 0.264
Brugia malayi Endoplasmin precursor 0.0034 0.0623 0.1335
Echinococcus multilocularis heat shock protein 90 0.0034 0.0623 0.1009
Plasmodium falciparum glutathione reductase 0.0094 0.2746 1
Trypanosoma brucei heat shock protein, putative 0.0034 0.0623 0.1296
Trypanosoma brucei heat shock protein, putative 0.0034 0.0623 0.1296
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0587 0.1148
Brugia malayi beta-lactamase family protein 0.0035 0.0677 0.1452
Trypanosoma brucei heat shock protein 90, putative 0.0034 0.0623 0.1296
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Schistosoma mansoni endoplasmin 0.0034 0.0623 0.0038
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0677 0.0096
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0677 0.0397
Loa Loa (eye worm) hypothetical protein 0.0149 0.4664 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0677 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0283 0.0606
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0677 0.0397
Mycobacterium tuberculosis Conserved protein 0.0035 0.0677 0.0397
Trichomonas vaginalis heat shock protein, putative 0.0034 0.0623 0.8933
Loa Loa (eye worm) hypothetical protein 0.0035 0.0677 0.0851
Brugia malayi beta-lactamase family protein 0.0035 0.0677 0.1452
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0677 1
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1011 0.0451
Trypanosoma cruzi Heat shock protein 83, putative 0.0034 0.0623 0.1856
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0307 0.0644
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0623 0.1856
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0587 0.163
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0677 1
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0587 0.1718
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0677 0.0397
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0587 0.1258
Trypanosoma cruzi trypanothione reductase, putative 0.0094 0.2746 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1011 0.264
Plasmodium vivax heat shock protein 86, putative 0.0034 0.0623 0.1296
Loa Loa (eye worm) hypothetical protein 0.0035 0.0677 0.0851
Trypanosoma brucei heat shock protein, putative 0.0034 0.0623 0.1296
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0587 0.0858
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Trypanosoma brucei heat shock protein, putative 0.0034 0.0623 0.1296
Trypanosoma brucei heat shock protein, putative 0.0034 0.0623 0.1296
Loa Loa (eye worm) hypothetical protein 0.0035 0.0677 0.0851
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1011 0.0451
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.024 0.7821 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0215 0.698 0.8869
Plasmodium vivax glutathione reductase, putative 0.0094 0.2746 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0677 0.0397
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Echinococcus multilocularis heat shock protein 0.0034 0.0623 0.1009
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0587 0.1148
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0587 1
Trypanosoma cruzi heat shock protein 90, putative 0.0027 0.0382 0.0934
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0677 0.1238
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Brugia malayi heat shock protein 90 0.0034 0.0623 0.1335
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1011 0.264
Loa Loa (eye worm) hypothetical protein 0.0035 0.0677 0.0851
Toxoplasma gondii heat shock protein 90, putative 0.0034 0.0623 0.1296
Mycobacterium tuberculosis Conserved protein 0.0035 0.0677 0.0397
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0587 0.1148
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0587 0.8228
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0587 0.1718
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0587 0.8228
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0307 0.0545
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0587 0.1148
Toxoplasma gondii thioredoxin reductase 0.0094 0.2746 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0215 0.698 0.8869
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0677 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0307 0.0545
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0677 0.0397
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0587 0.0858
Plasmodium falciparum heat shock protein 90 0.0034 0.0623 0.177
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Trypanosoma brucei heat shock protein 90, putative 0.0034 0.0623 0.1296
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0677 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0677 0.2065
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0677 0.0096
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.2766 1
Entamoeba histolytica hypothetical protein 0.0035 0.0676 1
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Trypanosoma cruzi heat shock protein 90, putative 0.0034 0.0623 0.1856
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0677 0.0397
Brugia malayi hypothetical protein 0.0035 0.0676 0.145
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Leishmania major trypanothione reductase 0.0094 0.2746 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0215 0.698 0.8869
Loa Loa (eye worm) thioredoxin reductase 0.0094 0.2746 0.5598
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0587 0.1718
Brugia malayi glutathione reductase 0.0094 0.2746 0.5888
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.024 0.7821 1
Onchocerca volvulus 0.0149 0.4664 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0587 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0587 0.1148
Leishmania major hypothetical protein, conserved 0.0035 0.0677 0.1519
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0677 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0215 0.698 0.8869
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0587 0.163
Loa Loa (eye worm) beta-lactamase 0.0035 0.0677 0.0851
Trypanosoma brucei heat shock protein, putative 0.0034 0.0623 0.1296
Mycobacterium tuberculosis Conserved protein 0.0035 0.0677 0.0397
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0307 0.0644
Loa Loa (eye worm) glutathione reductase 0.0094 0.2746 0.5598
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0677 0.0851
Schistosoma mansoni heat shock protein 0.0034 0.0623 0.0038
Toxoplasma gondii heat shock protein HSP90 0.0034 0.0623 0.1296
Trichomonas vaginalis esterase, putative 0.0035 0.0677 1
Brugia malayi Thioredoxin reductase 0.0094 0.2746 0.5888
Treponema pallidum NADH oxidase 0.0033 0.0587 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0677 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0677 0.1519
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0587 0.1148
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0587 0.1718
Schistosoma mansoni hypothetical protein 0.0035 0.0676 0.0095
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Plasmodium falciparum thioredoxin reductase 0.0094 0.2746 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1011 0.264
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0587 0.693
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0677 0.0397
Echinococcus granulosus heat shock protein 0.0034 0.0623 0.1009
Mycobacterium tuberculosis Probable reductase 0.0215 0.698 0.8869
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0587 1
Mycobacterium tuberculosis Probable oxidoreductase 0.024 0.7821 1
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Trypanosoma brucei Heat shock protein 83, putative 0.0034 0.0623 0.1296
Trypanosoma cruzi heat shock protein 85, putative 0.0027 0.0382 0.0934
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1011 0.1618
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0587 0.1718
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0677 0.1519
Loa Loa (eye worm) heat shock protein 90 0.0034 0.0623 0.0725
Mycobacterium ulcerans beta-lactamase 0.0035 0.0677 1
Schistosoma mansoni heat shock protein 0.0034 0.0623 0.0038
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0283 0.0606
Trypanosoma brucei heat shock protein, putative 0.0034 0.0623 0.1296
Brugia malayi hypothetical protein 0.0149 0.4664 1
Plasmodium falciparum thioredoxin reductase 0.0033 0.0587 0.163
Brugia malayi hypothetical protein 0.0025 0.0307 0.0657
Entamoeba histolytica hypothetical protein 0.0035 0.0676 1
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0623 0.1856
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0587 0.8502
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Loa Loa (eye worm) hypothetical protein 0.0035 0.0677 0.0851
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1011 0.2169
Brugia malayi beta-lactamase 0.0035 0.0677 0.1452
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.7337 0.9349
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0587 0.1148
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0587 0.1148
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1011 0.0451
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.024 0.7821 1
Plasmodium falciparum glutathione reductase 0.0033 0.0587 0.163
Trypanosoma brucei trypanothione reductase 0.0094 0.2746 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0676 0.1234
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0587 0.1718
Trypanosoma brucei heat shock protein, putative 0.0034 0.0623 0.1296
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0587 0.1718
Mycobacterium leprae Probable lipase LipE 0.0035 0.0677 0.0397
Toxoplasma gondii ABC1 family protein 0.0035 0.0677 0.1519
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.2766 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0587 0.1718
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0215 0.698 0.8869
Loa Loa (eye worm) endoplasmin 0.0034 0.0623 0.0725
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0677 0.1452
Plasmodium vivax thioredoxin reductase, putative 0.0094 0.2746 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0587 0.1148
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0382 0.4227
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0587 0.1148
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0587 0.1148
Leishmania major heat shock protein 83-1 0.0034 0.0623 0.1296
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0587 0.1148
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0094 0.2746 0.3178
Echinococcus granulosus heat shock protein 90 0.0034 0.0623 0.1009
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0677 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0677 1
Schistosoma mansoni endoplasmin 0.0034 0.0623 0.0038
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0677 0.1238
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0587 0.0275
Plasmodium vivax endoplasmin, putative 0.0034 0.0623 0.1296
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0382 0.4227
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0676 0.0095
Entamoeba histolytica hypothetical protein 0.0035 0.0676 1

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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