Detailed information for compound 621568

Basic information

Technical information
  • TDR Targets ID: 621568
  • Name: 2-[[4-(3-bromophenyl)-3-cyano-6-oxo-4,5-dihyd ro-1H-pyridin-2-yl]sulfanyl]-N-(2-methylpheny l)acetamide
  • MW: 456.356 | Formula: C21H18BrN3O2S
  • H donors: 2 H acceptors: 3 LogP: 3.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(SCC(=O)Nc2ccccc2C)NC(=O)CC1c1cccc(c1)Br
  • InChi: 1S/C21H18BrN3O2S/c1-13-5-2-3-8-18(13)24-20(27)12-28-21-17(11-23)16(10-19(26)25-21)14-6-4-7-15(22)9-14/h2-9,16H,10,12H2,1H3,(H,24,27)(H,25,26)
  • InChiKey: SUHQBABSFAAHHW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[4-(3-bromophenyl)-3-cyano-6-oxo-4,5-dihydro-1H-pyridin-2-yl]thio]-N-(2-methylphenyl)acetamide
  • 2-[[4-(3-bromophenyl)-3-cyano-6-keto-4,5-dihydro-1H-pyridin-2-yl]thio]-N-(2-methylphenyl)acetamide
  • 2-[[4-(3-bromophenyl)-3-cyano-6-oxo-4,5-dihydro-1H-pyridin-2-yl]sulfanyl]-N-(2-methylphenyl)ethanamide
  • STOCK2S-91714

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 0.0075 0.0492 0.1436
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0492 0.1436
Brugia malayi cytoplasmic intermediate filament protein 0.0072 0.0457 0.1335
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0492 0.1229
Echinococcus granulosus lamin dm0 0.0134 0.1057 0.0984
Schistosoma mansoni cellular tumor antigen P53 0.0156 0.1263 0.3536
Schistosoma mansoni intermediate filament proteins 0.0134 0.1057 0.2919
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.0763 0.2229
Brugia malayi RNA recognition motif domain containing protein 0.038 0.3425 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0492 0.5
Entamoeba histolytica hypothetical protein 0.0112 0.0845 1
Loa Loa (eye worm) beta-lactamase 0.0075 0.0492 0.1436
Echinococcus multilocularis lamin 0.0134 0.1057 0.0984
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0482 0.4408 1
Onchocerca volvulus 0.0075 0.0492 0.3894
Loa Loa (eye worm) hypothetical protein 0.0102 0.0747 0.2182
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0081 0.0236
Echinococcus granulosus intermediate filament protein 0.0134 0.1057 0.0984
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0072 0.0457 0.1335
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0492 0.5
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.0206 0.0126
Loa Loa (eye worm) transcription factor SMAD2 0.0244 0.2113 0.6169
Brugia malayi intermediate filament protein 0.0134 0.1057 0.3086
Schistosoma mansoni lamin 0.0134 0.1057 0.2919
Echinococcus multilocularis lamin dm0 0.0134 0.1057 0.0984
Schistosoma mansoni tar DNA-binding protein 0.038 0.3425 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0447 0.1307
Entamoeba histolytica hypothetical protein 0.0112 0.0845 1
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0492 0.1116
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.0747 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0492 0.1116
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0492 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.0747 1
Onchocerca volvulus 0.0156 0.1263 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0492 0.1436
Loa Loa (eye worm) hypothetical protein 0.0156 0.1263 0.3688
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0447 0.1307
Plasmodium vivax ataxin-2 like protein, putative 0.0102 0.0747 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0081 0.0236
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0112 0.0845 0.077
Entamoeba histolytica hypothetical protein 0.0112 0.0845 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0492 1
Trichomonas vaginalis esterase, putative 0.0075 0.0492 0.5
Brugia malayi hypothetical protein 0.0066 0.0399 0.1166
Brugia malayi TAR-binding protein 0.038 0.3425 1
Echinococcus multilocularis tar DNA binding protein 0.038 0.3425 0.3371
Mycobacterium leprae Probable lipase LipE 0.0075 0.0492 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.1033 0.3017
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0492 0.0414
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0065 0.0389 0.031
Entamoeba histolytica hypothetical protein 0.0112 0.0845 1
Brugia malayi beta-lactamase family protein 0.0075 0.0492 0.1436
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0492 0.5
Schistosoma mansoni tar DNA-binding protein 0.038 0.3425 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0081 0.0236
Leishmania major hypothetical protein, conserved 0.0102 0.0747 1
Echinococcus multilocularis tumor protein p63 0.1063 1 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.0206 0.0126
Loa Loa (eye worm) hypothetical protein 0.0075 0.0492 0.1436
Echinococcus granulosus tar DNA binding protein 0.038 0.3425 0.3371
Onchocerca volvulus 0.0134 0.1057 0.8368
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0492 1
Loa Loa (eye worm) TAR-binding protein 0.038 0.3425 1
Onchocerca volvulus 0.0134 0.1057 0.8368
Toxoplasma gondii LsmAD domain-containing protein 0.0102 0.0747 1
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0492 0.1116
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0065 0.0389 0.031
Loa Loa (eye worm) hypothetical protein 0.0104 0.0763 0.2229
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0081 0.0236
Schistosoma mansoni transcription factor LCR-F1 0.0112 0.0845 0.2284
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.0747 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0492 0.1436
Schistosoma mansoni hypothetical protein 0.0046 0.0206 0.0373
Mycobacterium ulcerans lipase LipD 0.0075 0.0492 1
Brugia malayi beta-lactamase family protein 0.0075 0.0492 0.1436
Schistosoma mansoni lamin 0.0134 0.1057 0.2919
Schistosoma mansoni tar DNA-binding protein 0.038 0.3425 1
Trypanosoma brucei PAB1-binding protein , putative 0.0102 0.0747 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0492 0.1229
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0492 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0365 0.1066
Loa Loa (eye worm) hypothetical protein 0.0075 0.0492 0.1436
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0134 0.1057 0.3086
Mycobacterium ulcerans beta-lactamase 0.0075 0.0492 1
Mycobacterium tuberculosis Conserved protein 0.0075 0.0492 0.1116
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0112 0.0845 0.077
Mycobacterium tuberculosis Conserved protein 0.0075 0.0492 0.1116
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.0763 0.2229
Brugia malayi RNA binding protein 0.038 0.3425 1
Onchocerca volvulus 0.0075 0.0492 0.3894
Mycobacterium ulcerans hypothetical protein 0.0075 0.0492 1
Schistosoma mansoni hypothetical protein 0.0112 0.0845 0.2284
Brugia malayi MH2 domain containing protein 0.0244 0.2113 0.6169
Schistosoma mansoni tar DNA-binding protein 0.038 0.3425 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.0763 0.2229
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0492 1
Brugia malayi hypothetical protein 0.0112 0.0845 0.2467
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.0747 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0492 0.1436
Loa Loa (eye worm) hypothetical protein 0.0075 0.0492 0.1436
Loa Loa (eye worm) hypothetical protein 0.0134 0.1057 0.3086
Echinococcus multilocularis musashi 0.0134 0.1057 0.0984
Brugia malayi beta-lactamase 0.0075 0.0492 0.1436
Leishmania major hypothetical protein, conserved 0.0075 0.0492 0.658
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.038 0.3425 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0389 0.1135
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0492 0.1116
Loa Loa (eye worm) intermediate filament protein 0.0134 0.1057 0.3086
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0492 0.0414
Echinococcus granulosus lamin 0.0134 0.1057 0.0984
Loa Loa (eye worm) hypothetical protein 0.0062 0.0365 0.1066
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0492 0.1116
Brugia malayi Intermediate filament tail domain containing protein 0.0134 0.1057 0.3086
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0492 0.1116
Schistosoma mansoni hypothetical protein 0.0071 0.0447 0.1096
Schistosoma mansoni tar DNA-binding protein 0.038 0.3425 1
Mycobacterium tuberculosis Conserved protein 0.0075 0.0492 0.1116
Brugia malayi hypothetical protein 0.0102 0.0747 0.2182
Loa Loa (eye worm) RNA binding protein 0.038 0.3425 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0244 0.2113 0.6169
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0492 0.1116
Onchocerca volvulus 0.0075 0.0492 0.3894

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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