Detailed information for compound 560072

Basic information

Technical information
  • TDR Targets ID: 560072
  • Name: 2-amino-2-isothiazol-4-yl-acetic acid
  • MW: 158.178 | Formula: C5H6N2O2S
  • H donors: 2 H acceptors: 3 LogP: -2.64 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(c1csnc1)N
  • InChi: 1S/C5H6N2O2S/c6-4(5(8)9)3-1-7-10-2-3/h1-2,4H,6H2,(H,8,9)
  • InChiKey: JWVOSCWQPDNXGF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-2-(4-isothiazolyl)acetic acid
  • 2-azanyl-2-(1,2-thiazol-4-yl)ethanoic acid
  • 2-amino-2-(1,2-thiazol-4-yl)acetic acid
  • alpha-amino-4-isothiazolylacetic acid
  • 2-amino-2-(1,2-thiazol-4-yl)ethanoic acid
  • 32485-53-3
  • 34653-48-0
  • 4-Isothiazoleacetic acid, alpha-amino-
  • 4-Isothiazoleglycine

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
Onchocerca volvulus 0.0028 0.0383 0.1893
Onchocerca volvulus 0.0091 0.2025 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0569 0.0872
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0565 0.9585
Schistosoma mansoni glutaminase 0.0265 0.6525 0.6506
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.059 1
Mycobacterium ulcerans glutaminase 0.0265 0.6525 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0853 0.0802
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0569 0.0872
Echinococcus granulosus para nitrobenzyl esterase 0.0067 0.1409 0.1361
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1243 0.1137
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0569 0.0872
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.1243 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.3747 0.3747
Echinococcus multilocularis BC026374 protein (S09 family) 0.0067 0.1409 0.1361
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0853 0.0802
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.059 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0056 0.0944
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0569 0.0872
Onchocerca volvulus 0.0067 0.1409 0.6959
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.3747 0.3712
Brugia malayi hypoxia-induced factor 1 0.0146 0.3442 0.3442
Schistosoma mansoni BC026374 protein (S09 family) 0.0067 0.1409 0.1361
Brugia malayi beta-lactamase family protein 0.0035 0.0565 0.0565
Loa Loa (eye worm) hypothetical protein 0.0399 1 1
Schistosoma mansoni gliotactin 0.0067 0.1409 0.1361
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.1178 0.1129
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.1178 0.1178
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0565 0.9585
Echinococcus multilocularis carboxylesterase 5A 0.0399 1 1
Leishmania major hypothetical protein, conserved 0.0015 0.0056 0.0448
Loa Loa (eye worm) hypothetical protein 0.0015 0.0056 0.0056
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0565 0.0512
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0056 0.0056
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.059 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0565 0.0866
Loa Loa (eye worm) carboxylesterase 0.0067 0.1409 0.1409
Trichomonas vaginalis spcc417.12 protein, putative 0.0067 0.1409 0.216
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0569 0.0872
Loa Loa (eye worm) hypothetical protein 0.0015 0.0056 0.0056
Brugia malayi jmjC domain containing protein 0.0015 0.0056 0.0056
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.1137 0.1087
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0097 0.0041
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.059 0.0537
Echinococcus granulosus neuroligin 0.0067 0.1409 0.1361
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.1137 0.1087
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0569 0.4323
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.059 0.0537
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0566 0.0566
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.3747 0.3747
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0569 0.0872
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0853 0.0802
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0067 0.1409 0.1361
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.1409 0.1361
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Brugia malayi PAS domain containing protein 0.0047 0.0884 0.0884
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0565 0.0565
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.1409 0.1361
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1243 0.1194
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.059 0.0537
Echinococcus granulosus BC026374 protein S09 family 0.0067 0.1409 0.1361
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0853 0.0802
Brugia malayi hypothetical protein 0.0158 0.376 0.376
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.059 0.4744
Brugia malayi Carboxylesterase family protein 0.0067 0.1409 0.1409
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0569 0.9648
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1243 0.1137
Brugia malayi jmjC domain containing protein 0.0058 0.1178 0.1178
Echinococcus multilocularis dnaJ subfamily B 0.0396 0.9931 0.9931
Onchocerca volvulus 0.0035 0.0565 0.2791
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.059 0.0904
Loa Loa (eye worm) hypothetical protein 0.0067 0.1409 0.1409
Brugia malayi jmjC domain containing protein 0.0015 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0295 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.1409 0.1409
Schistosoma mansoni alpha glucosidase 0.0035 0.0569 0.0516
Schistosoma mansoni neuroligin 3 (S09 family) 0.0067 0.1409 0.1361
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.3747 0.3712
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.059 0.0537
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0067 0.1409 0.1735
Schistosoma mansoni alpha-glucosidase 0.0136 0.3178 0.314
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0565 0.0866
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.1243 0.1393
Loa Loa (eye worm) hypothetical protein 0.0067 0.1409 0.1409
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0569 0.9648
Echinococcus granulosus acetylcholinesterase 0.0399 1 1
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0569 0.4577
Schistosoma mansoni cpg binding protein 0.0029 0.0425 0.0371
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0569 0.0569
Schistosoma mansoni cpg binding protein 0.0029 0.0425 0.0371
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0569 0.9648
Echinococcus granulosus carboxylesterase 5A 0.0399 1 1
Schistosoma mansoni acetylcholinesterase 0.0067 0.1409 0.1361
Loa Loa (eye worm) carboxylesterase 0.0067 0.1409 0.1409
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0295 0.5007
Trichomonas vaginalis esterase, putative 0.0035 0.0565 0.0866
Echinococcus multilocularis para nitrobenzyl esterase 0.0067 0.1409 0.1361
Onchocerca volvulus 0.0067 0.1409 0.6959
Brugia malayi CXXC zinc finger family protein 0.0028 0.0383 0.0383
Echinococcus granulosus acetylcholinesterase 0.0399 1 1
Onchocerca volvulus 0.0035 0.0566 0.2797
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0853 0.0853
Toxoplasma gondii ABC1 family protein 0.0035 0.0565 0.4291
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0569 0.0872
Onchocerca volvulus 0.0067 0.1409 0.6959
Brugia malayi Carboxylesterase family protein 0.0067 0.1409 0.1409
Trypanosoma brucei glucosidase, putative 0.0035 0.0569 0.9648
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0067 0.1409 0.216
Leishmania major hypothetical protein, conserved 0.0035 0.0565 0.4547
Loa Loa (eye worm) beta-lactamase 0.0035 0.0565 0.0565
Brugia malayi hypothetical protein 0.0024 0.0295 0.0295
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0295 0.5007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0853 0.0802
Loa Loa (eye worm) carboxylesterase 0.0399 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.3747 0.3712
Loa Loa (eye worm) hypothetical protein 0.0158 0.376 0.376
Onchocerca volvulus 0.0035 0.0565 0.2791
Brugia malayi Carboxylesterase family protein 0.0067 0.1409 0.1409
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0565 0.0866
Loa Loa (eye worm) hypothetical protein 0.0015 0.0056 0.0056
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0056 0.0056
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0295 0.5007
Brugia malayi hypothetical protein 0.0016 0.0071 0.0071
Loa Loa (eye worm) glutaminase 0.0265 0.6525 0.6525
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0569 0.0569
Brugia malayi jmjC domain containing protein 0.0015 0.0056 0.0056
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0853 0.0853
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0565 0.5
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0015 0.0056 0.0944
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0884 0.0833
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0565 0.0512
Echinococcus multilocularis acetylcholinesterase 0.0399 1 1
Echinococcus multilocularis neuroligin 0.0067 0.1409 0.1361
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0383 0.0383
Brugia malayi jmjC domain containing protein 0.0057 0.1137 0.1137
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0853 0.0802
Mycobacterium leprae Probable lipase LipE 0.0035 0.0565 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1192 0.1142
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.543 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0565 0.0866
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.059 0.0904
Brugia malayi beta-lactamase family protein 0.0035 0.0565 0.0565
Loa Loa (eye worm) hypothetical protein 0.0399 1 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.059 0.059
Loa Loa (eye worm) hypothetical protein 0.0067 0.1409 0.1409
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.1137 0.1087
Loa Loa (eye worm) hypothetical protein 0.0024 0.0295 0.0295
Schistosoma mansoni single-minded 0.0047 0.0884 0.0833
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.059 0.0537
Echinococcus multilocularis acetylcholinesterase 0.0399 1 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0569 0.0516
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0565 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0295 1
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0295 0.2018
Onchocerca volvulus 0.0067 0.1409 0.6959
Brugia malayi beta-lactamase 0.0035 0.0565 0.0565
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0853 0.0802
Loa Loa (eye worm) glutaminase 2 0.0265 0.6525 0.6525
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.1178 0.1129
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.1409 0.1361
Brugia malayi Carboxylesterase family protein 0.0399 1 1
Schistosoma mansoni hypothetical protein 0.0396 0.9931 0.9931
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0566 0.0002
Schistosoma mansoni cpg binding protein 0.0028 0.0383 0.033
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0565 0.0866
Onchocerca volvulus 0.0067 0.1409 0.6959
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.1178 0.1129
Echinococcus granulosus dnaJ subfamily B 0.0396 0.9931 0.9931
Loa Loa (eye worm) hypothetical protein 0.0067 0.1409 0.1409
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1243 0.1194
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.059 0.0537
Loa Loa (eye worm) hypothetical protein 0.0067 0.1409 0.1409
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.059 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0399 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0565 0.0512
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0097 0.0041
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.059 0.0904
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0569 0.0872
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.3442 0.3442
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1028 0.8193
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0569 0.0516
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0295 0.4703
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0565 0.0512
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0565 0.9585
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0565 0.0565
Echinococcus granulosus single minded 2 0.0035 0.0566 0.0514
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.1243 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.1409 0.1409
Mycobacterium tuberculosis Carboxylesterase LipT 0.0067 0.1409 0.1735
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.059 0.0537
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.1243 0.1194
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1243 0.1137
Loa Loa (eye worm) hypothetical protein 0.0036 0.059 0.059
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0566 0.0514
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Mycobacterium ulcerans carboxylesterase, LipT 0.0067 0.1409 0.1416
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.1243 0.1194
Brugia malayi glutaminase DH11.1 0.0265 0.6525 0.6525
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0569 0.9648
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0569 0.0872
Leishmania major hypothetical protein, conserved 0.0024 0.0295 0.2375
Brugia malayi jmjC domain containing protein 0.0015 0.0056 0.0056
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0056 0.0944
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0399 1 1
Trichomonas vaginalis glutaminase, putative 0.0265 0.6525 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0056 0.0056
Echinococcus multilocularis cpg binding protein 0.0029 0.0425 0.0371
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0067 0.1409 0.1735
Schistosoma mansoni jumonji domain containing protein 0.0057 0.1137 0.1087
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.059 0.5
Brugia malayi hypothetical protein 0.0067 0.1409 0.1409
Schistosoma mansoni alpha-glucosidase 0.0136 0.3178 0.314
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.059 0.0537
Echinococcus granulosus cpg binding protein 0.0029 0.0425 0.0371
Onchocerca volvulus 0.0035 0.0565 0.2791
Brugia malayi Carboxylesterase family protein 0.0067 0.1409 0.1409
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0067 0.1409 0.1361

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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