Detailed information for compound 1305947

Basic information

Technical information
  • TDR Targets ID: 1305947
  • Name: 2-thiophen-2-yl-1,3-thiazole-4-carboxylic aci d
  • MW: 211.261 | Formula: C8H5NO2S2
  • H donors: 1 H acceptors: 3 LogP: 2.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1csc(n1)c1cccs1
  • InChi: 1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
  • InChiKey: FGKCNTGJZXHKFJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-thienyl)thiazole-4-carboxylic acid
  • 2-(2-thienyl)-4-thiazolecarboxylic acid
  • SDCCGMLS-0065954.P001
  • SMR000372175
  • MLS000760876
  • 3G-388S

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0087 0.1022 0.1714
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0211 0.2942 0.4934
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.4369
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0087 0.1022 0.1517
Brugia malayi Steroid receptor seven-up type 2 0.0108 0.1345 0.1345
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0407 0.5962 1
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.0582 0.0976
Loa Loa (eye worm) nuclear hormone receptor 0.0097 0.1173 0.1173
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0089 0.1059 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0089 0.1059 0.1776
Echinococcus multilocularis GPCR, family 2 0.0211 0.2942 0.4934
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0089 0.1059 0.8953
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0087 0.1022 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0096 0.1165 0.1954
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0033 0.0191 0.032
Schistosoma mansoni hypothetical protein 0.0205 0.284 0.4217
Brugia malayi hypothetical protein 0.0048 0.0417 0.0417
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0096 0.1165 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0623 0.0623
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0623 0.0925
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0824 0.6638
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0087 0.1022 0.0893
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0096 0.1165 1
Brugia malayi TAR-binding protein 0.0061 0.0623 0.0623
Echinococcus multilocularis Smad4 0.0034 0.0197 0.033
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0623 0.0925
Trypanosoma cruzi PAB1-binding protein , putative 0.0074 0.0824 0.0645
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0087 0.1022 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0096 0.1165 0.1074
Toxoplasma gondii LsmAD domain-containing protein 0.0074 0.0824 0.6638
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0237 0.0397
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0087 0.1022 0.0893
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0096 0.1165 0.1954
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0623 0.0925
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0087 0.1022 0.9588
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0087 0.1022 0.0893
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0108 0.1345 0.2255
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0555 0.8252 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0087 0.1022 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0096 0.1165 0.0459
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0087 0.1022 0.0893
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0555 0.8252 1
Brugia malayi MH2 domain containing protein 0.0034 0.0197 0.0197
Schistosoma mansoni hypothetical protein 0.0036 0.0237 0.0351
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0087 0.1022 0.0266
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0211 0.2942 0.2942
Loa Loa (eye worm) hypothetical protein 0.0668 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0096 0.1165 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.0582 0.4744
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0087 0.1022 0.1714
Schistosoma mansoni smad1 5 8 and 0.0034 0.0197 0.0293
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0623 0.0925
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.0197 0.033
Echinococcus multilocularis smad 0.0034 0.0197 0.033
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0087 0.1022 0.0893
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0087 0.1022 0.0266
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0087 0.1022 0.8584
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0087 0.1022 0.1517
Loa Loa (eye worm) hypothetical protein 0.0089 0.1059 0.1059
Loa Loa (eye worm) transcription factor SMAD2 0.0495 0.7336 0.7336
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0623 0.1044
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0824 0.6638
Brugia malayi MH2 domain containing protein 0.0034 0.0197 0.0197
Toxoplasma gondii isocitrate dehydrogenase 0.0096 0.1165 1
Echinococcus granulosus tar DNA binding protein 0.0061 0.0623 0.1044
Loa Loa (eye worm) latrophilin receptor protein 2 0.0211 0.2942 0.2942
Schistosoma mansoni tyrosine kinase 0.0401 0.5872 0.8721
Echinococcus granulosus smad 0.0034 0.0197 0.033
Trypanosoma cruzi PAB1-binding protein , putative 0.0074 0.0824 0.0645
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.0197 0.033
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.1059 1
Schistosoma mansoni hypothetical protein 0.0456 0.6733 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0211 0.2942 0.4934
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0087 0.1022 0.0893
Onchocerca volvulus 0.0021 0 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0197 0.0197
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0096 0.1165 0.1954
Brugia malayi hypothetical protein 0.0036 0.0237 0.0237
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0087 0.1022 0.1022
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0211 0.2942 0.2942
Brugia malayi MH2 domain containing protein 0.0495 0.7336 0.7336
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0087 0.1022 1
Loa Loa (eye worm) Smad1 0.0034 0.0197 0.0197
Brugia malayi MH1 domain containing protein 0.0034 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0456 0.6733 0.6733
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0087 0.1022 0.8584
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0108 0.1345 0.2255
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0096 0.1165 0.1954
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0237 0.0351
Loa Loa (eye worm) isocitrate dehydrogenase 0.0096 0.1165 0.1165
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0089 0.1059 0.1776
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0555 0.8252 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.1059 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0046 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0074 0.0824 0.0824
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0046 0.0384 0.1016
Schistosoma mansoni smad 0.0034 0.0197 0.0293
Brugia malayi latrophilin 2 splice variant baaae 0.0456 0.6733 0.6733
Loa Loa (eye worm) hypothetical protein 0.0098 0.1191 0.1191
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0237 0.0397
Schistosoma mansoni hypothetical protein 0.0205 0.284 0.4217
Echinococcus multilocularis geminin 0.0205 0.284 0.4763
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0089 0.1059 0.8953
Echinococcus granulosus GPCR family 2 0.0211 0.2942 0.4934
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0089 0.1059 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0087 0.1022 0.0266
Brugia malayi hypothetical protein 0.0074 0.0824 0.0824
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0087 0.1022 0.8584
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0087 0.1022 0.0266
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0096 0.1165 0.0459
Brugia malayi Probable ClpP-like protease 0.0089 0.1059 0.1059
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0087 0.1022 0.8584
Loa Loa (eye worm) TK/ABL protein kinase 0.0407 0.5962 0.5962
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0096 0.1165 0.1954
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.1059 0.8953
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0033 0.0191 0.032
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0096 0.1165 0.173
Toxoplasma gondii isocitrate dehydrogenase 0.0096 0.1165 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.206 0.206
Loa Loa (eye worm) RNA binding protein 0.0061 0.0623 0.0623
Echinococcus granulosus tyrosine protein kinase ABL1 0.0407 0.5962 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0087 0.1022 0.0893
Onchocerca volvulus Bile acid receptor homolog 0.0021 0 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.1059 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0246 0.3487 0.3487
Brugia malayi MH1 domain containing protein 0.0034 0.0197 0.0197
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.1059 0.8953
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0087 0.1022 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0041 0.0312 0.0524
Schistosoma mansoni smad1 5 8 and 0.0034 0.0197 0.0293
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0211 0.2942 0.4934
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.1059 1
Schistosoma mansoni smad1 5 8 and 0.0034 0.0197 0.0293
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0089 0.1059 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0087 0.1022 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0087 0.1022 0.1714
Echinococcus granulosus Smad4 0.0034 0.0197 0.033
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0555 0.8252 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2942
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.0197 0.033
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0096 0.1165 0.0459
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.0197 0.033
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0087 0.1022 0.1517
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0623 0.0925
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0087 0.1022 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0197 0.0197
Brugia malayi isocitrate dehydrogenase 0.0096 0.1165 0.1165
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0087 0.1022 0.1714
Brugia malayi Smad1 0.0034 0.0197 0.0197
Plasmodium vivax ataxin-2 like protein, putative 0.0074 0.0824 0.6638
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0046 0.0384 0.0384
Echinococcus multilocularis tyrosine protein kinase Abl 0.0166 0.2238 0.3754
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0668 1 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.0197 0.0293
Brugia malayi Isocitrate dehydrogenase 0.0096 0.1165 0.1165
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0041 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0284 0.406 0.406
Loa Loa (eye worm) MH2 domain-containing protein 0.0495 0.7336 0.7336
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.4369
Loa Loa (eye worm) hypothetical protein 0.0041 0.0312 0.0312
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0041 0.0312 0.0524
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0623 0.0623
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0087 0.1022 0.1517
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0041 0.0312 0.0312
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0623 0.0623
Brugia malayi photoreceptor-specific nuclear receptor 0.0284 0.406 0.406
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.4369
Echinococcus multilocularis isocitrate dehydrogenase 0.0096 0.1165 0.1954
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0096 0.1165 0.1074
Schistosoma mansoni peptidase Clp (S14 family) 0.0089 0.1059 0.1573
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0087 0.1022 1
Schistosoma mansoni hypothetical protein 0.0033 0.0191 0.0283
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0087 0.1022 0.5
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0041 0.0312 0.0312
Brugia malayi Tyrosine-protein kinase abl-1 0.0166 0.2238 0.2238
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.0582 0.0976
Brugia malayi RNA binding protein 0.0061 0.0623 0.0623
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0087 0.1022 0.0266
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.4369
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0211 0.2942 0.4934
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0087 0.1022 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0046 0.0384 0.0384
Schistosoma mansoni Smad4 0.0034 0.0197 0.0293
Brugia malayi Calcitonin receptor-like protein seb-1 0.0668 1 1
Echinococcus granulosus geminin 0.0205 0.284 0.4763

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.13 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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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