Detailed information for compound 725957

Basic information

Technical information
  • TDR Targets ID: 725957
  • Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-eth yl-1,3,4-thiadiazol-2-yl)acetamide
  • MW: 365.881 | Formula: C16H20ClN5OS
  • H donors: 1 H acceptors: 3 LogP: 3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nnc(s1)NC(=O)CN1CCN(CC1)c1cccc(c1)Cl
  • InChi: 1S/C16H20ClN5OS/c1-2-15-19-20-16(24-15)18-14(23)11-21-6-8-22(9-7-21)13-5-3-4-12(17)10-13/h3-5,10H,2,6-9,11H2,1H3,(H,18,20,23)
  • InChiKey: XTZFQCUSDFJRKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(3-chlorophenyl)-1-piperazinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
  • 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanamide
  • IVK/0014394
  • ASN 08749135

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 hypothetical protein, conserved 0.003 0.01 0.0257
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.044 0.3135 0.3121
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0146 0.0466
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.044 0.3135 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0155 0.0431
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0006
Loa Loa (eye worm) IMP dehydrogenase 1 0.044 0.3135 1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0155 0.0087
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0069 0.0134
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.002 0.0065
Echinococcus granulosus tissue type plasminogen activator 0.003 0.01 0.008
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0319 0.0959
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0146 0.9104
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0319 0.0959
Brugia malayi GMP reductase 0.0194 0.1315 0.4196
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.044 0.3135 1
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0155 0.0431
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0069 0.0154
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.044 0.3135 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0319 0.0299
Trypanosoma brucei glucosidase, putative 0.0037 0.0146 0.0403
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0146 0.9104
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0155 0.9734
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0146 0.9104
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.1661 0.5269
Toxoplasma gondii IMP dehydrogenas 0.044 0.3135 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0155 0.0135
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0155 0.0431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.056 0.0541
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.044 0.3135 1
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0146 0.0403
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0027 0.002
Schistosoma mansoni alpha-glucosidase 0.0142 0.0926 0.0907
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0155 0.0494
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0158 0.0138
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0146 0.9104
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0319 0.0299
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0155 0.0412
Loa Loa (eye worm) TK/ROR protein kinase 0.003 0.01 0.0257
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.056 0.0541
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0155 0.9734
Onchocerca volvulus 0.0095 0.0581 0.3958
Onchocerca volvulus 0.0038 0.0155 0.0448
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0027 0.045
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0155 0.0135
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0069 0.0154
Brugia malayi beta-lactamase family protein 0.0038 0.0155 0.0494
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0155 0.0431
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0155 0.0087
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0155 0.0431
Onchocerca volvulus 0.0038 0.0155 0.0448
Toxoplasma gondii ABC1 family protein 0.0038 0.0155 0.0412
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0146 0.0384
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.044 0.3135 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0146 0.0126
Brugia malayi Kringle domain containing protein 0.003 0.01 0.032
Mycobacterium tuberculosis Conserved protein 0.0038 0.0155 0.0431
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0069 0.0134
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0027 0.002
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0146 0.0126
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.056 0.0541
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.044 0.3135 0.3121
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0155 0.9734
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0027 0.002
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0069 0.0134
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0158 0.0443
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.044 0.3135 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0027 0.0085
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0146 0.9104
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.044 0.3135 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0146 0.9104
Loa Loa (eye worm) GMP reductase 0.0194 0.1315 0.4158
Onchocerca volvulus Putative GMP reductase 0.0194 0.1315 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0158 0.0443
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0319 0.0941
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0155 0.0431
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0155 0.0431
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0319 0.0959
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0154
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.056 0.0541
Schistosoma mansoni alpha-glucosidase 0.0142 0.0926 0.0907
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0158 0.0424
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.056 0.0541
Toxoplasma gondii kringle domain-containing protein 0.003 0.01 0.0237
Mycobacterium ulcerans beta-lactamase 0.0038 0.0155 0.0431
Trypanosoma cruzi GMP reductase 0.044 0.3135 1
Brugia malayi follicle stimulating hormone receptor 0.0252 0.1741 0.5554
Brugia malayi beta-lactamase family protein 0.0038 0.0155 0.0494
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0155 0.0135
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0146 0.9104
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.044 0.3135 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0129 0.0348
Leishmania major guanosine monophosphate reductase 0.044 0.3135 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0158 0.0443
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0319 0.0299
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0146 0.0403
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.044 0.3135 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.044 0.3135 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0146 0.0403
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0155 0.0431
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.044 0.3135 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0146 0.9104
Brugia malayi Protein kinase domain containing protein 0.003 0.01 0.032
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0431
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.1096 0.3496
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.077 0.2406
Schistosoma mansoni alpha glucosidase 0.0037 0.0146 0.0126
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0252 0.1741 0.5524
Loa Loa (eye worm) beta-lactamase 0.0038 0.0155 0.0431
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0027 0.045
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0158 0.0443
Brugia malayi hypothetical protein 0.0026 0.0069 0.0219
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0155 0.0431
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0027 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.044 0.3135 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.044 0.3135 0.3121
Echinococcus multilocularis microtubule associated protein 2 0.1367 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0027 0.0006
Mycobacterium ulcerans lipase LipD 0.0038 0.0155 0.0431
Schistosoma mansoni microtubule-associated protein tau 0.1367 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0146 0.9104
Mycobacterium tuberculosis Conserved protein 0.0038 0.0155 0.0431
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0431
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0431
Brugia malayi Inositol-1 0.0038 0.0158 0.0505
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.056 0.1788
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.1096 0.3453
Schistosoma mansoni hypothetical protein 0.003 0.01 0.008
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0246 0.1695 0.5376
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.01 0.0257
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0069 0.0154
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0027 0.002
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.002 0.0065
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0319 0.0299
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0155 0.0431
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0431
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.077 0.2406
Mycobacterium tuberculosis Conserved protein 0.0038 0.0155 0.0431
Trypanosoma brucei GMP reductase 0.044 0.3135 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0146 0.9104
Mycobacterium ulcerans hypothetical protein 0.0038 0.0155 0.0431
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0146 0.9104
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0257
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0027 0.002
Plasmodium falciparum cysteine repeat modular protein 1 0.003 0.01 0.0237
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0158 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0155 0.9734
Brugia malayi MH2 domain containing protein 0.0121 0.077 0.2455
Onchocerca volvulus 0.0038 0.0155 0.0448
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0319 0.0959
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0155 0.0431
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0155 0.0431
Brugia malayi beta-lactamase 0.0038 0.0155 0.0494
Loa Loa (eye worm) inositol-1 0.0038 0.0158 0.0443
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.1096 0.1078
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0027 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.1096 0.1078
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.056 0.1733
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0246 0.1695 0.5209
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0155 0.0431
Trichomonas vaginalis esterase, putative 0.0038 0.0155 0.9734
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0027 0.045
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0194 0.1315 0.4158
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0158 0.0443
Schistosoma mansoni inositol monophosphatase 0.0038 0.0158 0.0138
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0155 0.0135
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0194 0.1315 0.4196
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0158 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0158 0.0424
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0194 0.1315 0.4196
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0158 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0158 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.056 0.0541
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0431
Trypanosoma cruzi GMP reductase 0.044 0.3135 1
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0194 0.1315 0.3947
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0006
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0146 0.0403
Leishmania major hypothetical protein, conserved 0.0038 0.0155 0.0431
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0069 0.0134
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 0.1096 0.1078
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0155 0.9734
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0319 0.0959
Schistosoma mansoni inositol monophosphatase 0.0038 0.0158 0.0138
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0027 0.0006
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.044 0.3135 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.056 0.0541
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0158 0.0138
Leishmania major hypothetical protein, conserved 0.0026 0.0069 0.0154
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0027 0.002
Plasmodium vivax cysteine repeat modular protein 1, putative 0.003 0.01 0.0237
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0027 0.002
Echinococcus multilocularis tissue type plasminogen activator 0.003 0.01 0.008

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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