Detailed information for compound 619816

Basic information

Technical information
  • TDR Targets ID: 619816
  • Name: N-[5-[2-[(3,5-dimethylphenyl)amino]-2-oxoethy l]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylben zamide
  • MW: 412.528 | Formula: C20H20N4O2S2
  • H donors: 2 H acceptors: 4 LogP: 4.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(s1)NC(=O)c1ccccc1C
  • InChi: 1S/C20H20N4O2S2/c1-12-8-13(2)10-15(9-12)21-17(25)11-27-20-24-23-19(28-20)22-18(26)16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23,26)
  • InChiKey: WZXCXPPLWVOLIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-[2-[(3,5-dimethylphenyl)amino]-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-benzamide
  • N-[5-[[2-[(3,5-dimethylphenyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
  • N-[5-[[2-[(3,5-dimethylphenyl)amino]-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-benzamide
  • Oprea1_192540
  • ZINC04078012

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) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0781 0.0769
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0013 0.0041
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.1546 0.4766
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0311 0.0404
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0124 0.2837 0.4444
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0359 0.0162
Brugia malayi beta-lactamase family protein 0.0038 0.0311 0.0398
Onchocerca volvulus 0.005 0.0676 1
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0787 0.8568
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0311 0.3329
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1546 0.2051
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0676 0.0486
Loa Loa (eye worm) hypothetical protein 0.0038 0.0311 0.0298
Brugia malayi Thioredoxin reductase 0.0054 0.0787 0.1035
Mycobacterium tuberculosis Conserved protein 0.0038 0.0311 0.0469
Loa Loa (eye worm) glutaminase 0.0281 0.7489 0.7486
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0734 0.2261
Trypanosoma brucei PAB1-binding protein , putative 0.0059 0.0917 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0199 0.5054 0.4953
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0124 0.2837 0.4444
Brugia malayi beta-lactamase 0.0038 0.0311 0.0398
Plasmodium falciparum glutathione reductase 0.0054 0.0787 0.5091
Brugia malayi glutaminase DH11.1 0.0281 0.7489 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.1546 0.1374
Schistosoma mansoni hypothetical protein 0.0179 0.4476 0.4363
Echinococcus granulosus geminin 0.0179 0.4476 0.4363
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0359 0.0162
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0882 0.0696
Loa Loa (eye worm) hypothetical protein 0.0038 0.0311 0.0298
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0676 0.0486
Schistosoma mansoni tar DNA-binding protein 0.0209 0.5366 0.5272
Mycobacterium tuberculosis Conserved protein 0.0038 0.0311 0.0469
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.3244 0.5085
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0311 0.0404
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0311 0.0298
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0311 0.0469
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0781 0.0593
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0781 0.0593
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1546 0.2051
Toxoplasma gondii ABC1 family protein 0.0038 0.0311 0.2012
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0734 0.1134
Brugia malayi RNA recognition motif domain containing protein 0.0209 0.5366 0.7161
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0311 0.0404
Plasmodium falciparum ataxin-2 like protein, putative 0.0059 0.0917 0.5933
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1546 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1546 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0311 0.0469
Plasmodium falciparum ataxin-2 like protein, putative 0.0059 0.0917 0.5933
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.1546 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0311 0.0404
Brugia malayi hypothetical protein 0.0038 0.0304 0.0389
Brugia malayi glutathione reductase 0.0054 0.0787 0.1035
Leishmania major hypothetical protein, conserved 0.0038 0.0311 0.3329
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.6367 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0124 0.2837 0.4444
Loa Loa (eye worm) hypothetical protein 0.0038 0.0311 0.0298
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.3244 0.5085
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0882 0.0696
Entamoeba histolytica hypothetical protein 0.004 0.0359 1
Echinococcus granulosus tar DNA binding protein 0.0209 0.5366 0.5272
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0124 0.2837 0.4444
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0013 0.0041
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0882 0.0696
Schistosoma mansoni glutaminase 0.0281 0.7489 0.7438
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0013 0.0052
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.0013 0.0135
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0311 0.0113
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0311 0.0469
Schistosoma mansoni hypothetical protein 0.0306 0.8238 0.8202
Loa Loa (eye worm) hypothetical protein 0.0038 0.0311 0.0298
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0882 0.0696
Loa Loa (eye worm) hypothetical protein 0.0057 0.0882 0.087
Schistosoma mansoni tar DNA-binding protein 0.0209 0.5366 0.5272
Mycobacterium tuberculosis Conserved protein 0.0038 0.0311 0.0469
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.1546 0.1374
Brugia malayi mbt repeat family protein 0.005 0.0676 0.0887
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0311 0.1547
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0781 0.0593
Plasmodium falciparum importin beta, putative 0.0034 0.02 0.1294
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1546 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0917 0.0905
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0734 0.0544
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0013 0.0052
Loa Loa (eye worm) TAR-binding protein 0.0209 0.5366 0.536
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0787 0.0599
Trypanosoma brucei trypanothione reductase 0.0054 0.0787 0.8185
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0311 0.0398
Trypanosoma cruzi PAB1-binding protein , putative 0.0059 0.0917 1
Echinococcus multilocularis geminin 0.0179 0.4476 0.4363
Entamoeba histolytica hypothetical protein 0.004 0.0359 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0734 0.0544
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.1546 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0781 0.0593
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0124 0.2837 0.4444
Brugia malayi hypothetical protein 0.004 0.0359 0.0462
Onchocerca volvulus 0.0038 0.0311 0.4492
Brugia malayi TAR-binding protein 0.0209 0.5366 0.7161
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0676 0.0486
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0311 0.0469
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.1546 0.1374
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0311 0.3329
Plasmodium falciparum thioredoxin reductase 0.0054 0.0787 0.5091
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0311 0.0113
Trypanosoma cruzi PAB1-binding protein , putative 0.0059 0.0917 1
Onchocerca volvulus 0.0038 0.0311 0.4492
Loa Loa (eye worm) glutaminase 2 0.0281 0.7489 0.7486
Schistosoma mansoni tar DNA-binding protein 0.0209 0.5366 0.5272
Mycobacterium tuberculosis Probable reductase 0.0124 0.2837 0.4444
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0781 0.1027
Plasmodium vivax glutathione reductase, putative 0.0054 0.0787 0.5091
Brugia malayi Probable ClpP-like protease 0.008 0.1546 0.2051
Schistosoma mansoni hypothetical protein 0.004 0.0359 0.0162
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0366 1 1
Mycobacterium ulcerans beta-lactamase 0.0038 0.0311 0.0398
Entamoeba histolytica hypothetical protein 0.004 0.0359 1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0311 0.0959
Echinococcus multilocularis snurportin 1 0.0366 1 1
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0676 0.0486
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0781 0.0593
Trichomonas vaginalis esterase, putative 0.0038 0.0311 0.0404
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.02 0.1294
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0787 0.0775
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0734 0.1134
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0311 0.0469
Mycobacterium ulcerans hypothetical protein 0.0038 0.0311 0.0398
Schistosoma mansoni tar DNA-binding protein 0.0209 0.5366 0.5272
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0311 0.0398
Brugia malayi RNA binding protein 0.0209 0.5366 0.7161
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0787 0.0599
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0311 0.0469
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0676 1
Leishmania major trypanothione reductase 0.0054 0.0787 0.8568
Plasmodium vivax ataxin-2 like protein, putative 0.0059 0.0917 0.5933
Schistosoma mansoni hypothetical protein 0.0366 1 1
Schistosoma mansoni hypothetical protein 0.0179 0.4476 0.4363
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0199 0.5054 0.4953
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0209 0.5366 0.536
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0676 0.0664
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0013 0.0052
Brugia malayi RNA, U transporter 1 0.0098 0.2068 0.2748
Onchocerca volvulus 0.0038 0.0311 0.4492
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0311 0.0113
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.1546 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0311 0.0469
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0882 0.0696
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0013 0.0135
Schistosoma mansoni tar DNA-binding protein 0.0209 0.5366 0.5272
Trichomonas vaginalis glutaminase, putative 0.0281 0.7489 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.1546 1
Leishmania major hypothetical protein, conserved 0.0059 0.0917 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0311 0.0298
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0013 0.0135
Entamoeba histolytica hypothetical protein 0.004 0.0359 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.3244 1
Brugia malayi mbt repeat family protein 0.005 0.0676 0.0887
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0882 0.1162
Loa Loa (eye worm) glutathione reductase 0.0054 0.0787 0.0775
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0781 0.0593
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0676 0.0486
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0787 0.1218
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0676 0.0486
Loa Loa (eye worm) beta-lactamase 0.0038 0.0311 0.0298
Loa Loa (eye worm) hypothetical protein 0.0034 0.02 0.0187
Echinococcus multilocularis tar DNA binding protein 0.0209 0.5366 0.5272
Loa Loa (eye worm) MBCTL1 0.0057 0.0882 0.087
Toxoplasma gondii LsmAD domain-containing protein 0.0059 0.0917 0.5933
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0311 0.0398
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0311 0.0113
Loa Loa (eye worm) hypothetical protein 0.0038 0.0311 0.0298
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0787 0.5091
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.3244 0.5085
Plasmodium vivax importin-beta 2, putative 0.0034 0.02 0.1294
Brugia malayi hypothetical protein 0.0059 0.0917 0.1209
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0124 0.2837 0.8745
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0781 0.0593
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0311 0.0404
Brugia malayi beta-lactamase family protein 0.0038 0.0311 0.0398
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0311 0.0959
Brugia malayi Importin beta-1 subunit 0.0034 0.02 0.025
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0676 0.0486
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1546 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0359 0.0162
Toxoplasma gondii thioredoxin reductase 0.0054 0.0787 0.5091
Loa Loa (eye worm) hypothetical protein 0.008 0.1546 0.1535
Loa Loa (eye worm) RNA binding protein 0.0209 0.5366 0.536
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0311 0.2012
Loa Loa (eye worm) hypothetical protein 0.005 0.0676 0.0664
Mycobacterium ulcerans lipase LipD 0.0038 0.0311 0.0398
Mycobacterium ulcerans glutaminase 0.0281 0.7489 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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