Detailed information for compound 283631

Basic information

Technical information
  • TDR Targets ID: 283631
  • Name: thiophene-3-carboxylic acid
  • MW: 128.149 | Formula: C5H4O2S
  • H donors: 1 H acceptors: 2 LogP: 1.13 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cscc1
  • InChi: 1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
  • InChiKey: YNVOMSDITJMNET-UHFFFAOYSA-N  


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Synonyms

  • 3-thiophenecarboxylic acid
  • 3-thenoic acid
  • 88-13-1
  • 3-THIOPHENE CARBOXYLIC ACID
  • 3-Thienylcarboxylic acid
  • 5-18-06-00199 (Beilstein Handbook Reference)
  • BRN 0001994
  • EINECS 201-802-5
  • NSC 66314
  • beta-Thiophenecarboxylic acid
  • beta-Thiophenic acid
  • 247766_ALDRICH
  • 88995_FLUKA
  • NCIOpen2_000030
  • SBB004240
  • .beta.-Thiophenecarboxylic acid
  • .beta.-Thiophenic acid
  • NSC66314

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens FYN proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References
Homo sapiens D-amino-acid oxidase Starlite/ChEMBL References
Homo sapiens LCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi protein-tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127583 All targets in OG5_127583
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO Get druggable targets OG5_127583 All targets in OG5_127583
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Mycobacterium ulcerans D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Srms Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans D-amino acid oxidase Aao D-amino-acid oxidase 347 aa 378 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0016 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0056 0.2211 1
Loa Loa (eye worm) TK protein kinase 0.0038 0.1205 0.1205
Echinococcus multilocularis tyrosine protein kinase HCK 0.0038 0.1205 0.5452
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0016 0 0.5
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0018 0.0096 0.0096
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0056 0.2211 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0016 0 0.5
Schistosoma mansoni tyrosine kinase 0.0021 0.0239 0.0239
Echinococcus granulosus tyrosine kinase 0.0047 0.1715 0.7755
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0016 0 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0047 0.1715 0.7755
Echinococcus granulosus growth factor receptor bound protein 2 0.0018 0.0096 0.0435
Echinococcus granulosus tyrosine protein kinase Src42A 0.0044 0.1572 0.7108
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0056 0.2211 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0016 0 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0056 0.2211 1
Entamoeba histolytica protein kinase, putative 0.0038 0.1205 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0016 0 0.5
Echinococcus granulosus NCK adaptor protein 0.0018 0.0096 0.0435
Schistosoma mansoni nck2/grb4 0.0018 0.0096 0.0096
Schistosoma mansoni adapter molecule crk 0.0018 0.0096 0.0096
Onchocerca volvulus Putative fad oxidoreductase 0.0016 0 0.5
Toxoplasma gondii hypothetical protein 0.0016 0 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0021 0.0239 0.0239
Brugia malayi Sex muscle abnormal protein 5 0.0018 0.0096 0.0435
Leishmania major hypothetical protein, conserved 0.0016 0 0.5
Loa Loa (eye worm) TK protein kinase 0.0047 0.1715 0.1715
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0044 0.1572 0.7108
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0016 0 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0056 0.2211 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0195 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0021 0.0239 0.1082
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0016 0 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.0047 0.1715 0.7755
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0056 0.2211 1
Schistosoma mansoni d-amino acid oxidase 0.0195 1 1
Brugia malayi SRC-1 0.0056 0.2211 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0056 0.2211 1
Leishmania major hypothetical protein, conserved 0.0016 0 0.5
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0021 0.0239 0.1082
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0016 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0056 0.2211 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0056 0.2211 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0056 0.2211 1
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0016 0 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0016 0 0.5
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0016 0 0.5
Echinococcus granulosus tyrosine protein kinase Blk 0.0047 0.1715 0.7755
Echinococcus granulosus c src tyrosine kinase 0.0021 0.0239 0.1082
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0016 0 0.5
Schistosoma mansoni growth factor receptor-bound protein 0.0018 0.0096 0.0096
Echinococcus granulosus tyrosine protein kinase Fyn 0.0056 0.2211 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0021 0.0239 0.1082
Chlamydia trachomatis D-amino acid dehydrogenase 0.0016 0 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0056 0.2211 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0056 0.2211 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0018 0.0096 0.0435
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0018 0.0096 0.0096
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0016 0 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0016 0 0.5
Schistosoma mansoni tyrosine kinase 0.0056 0.2211 0.2211
Echinococcus multilocularis NCK adaptor protein 0.0018 0.0096 0.0435
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0016 0 0.5
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0016 0 0.5
Schistosoma mansoni tyrosine kinase 0.0056 0.2211 0.2211
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0021 0.0239 0.1082
Echinococcus multilocularis c src tyrosine kinase 0.0021 0.0239 0.1082
Brugia malayi Variant SH3 domain containing protein 0.0018 0.0096 0.0435
Schistosoma mansoni tyrosine kinase 0.0021 0.0239 0.0239
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0016 0 0.5
Echinococcus granulosus tyrosine protein kinase HCK 0.0038 0.1205 0.5452
Brugia malayi Variant SH3 domain containing protein 0.0018 0.0096 0.0435
Loa Loa (eye worm) hypothetical protein 0.0018 0.0096 0.0096
Echinococcus granulosus tyrosine protein kinase Lyn 0.0056 0.2211 1
Loa Loa (eye worm) SRC-1 0.0056 0.2211 0.2211
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0195 1 1
Brugia malayi protein-tyrosine kinase 0.0047 0.1715 0.7755
Echinococcus granulosus tyrosine protein kinase Fyn 0.0056 0.2211 1
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0016 0 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0018 0.0096 0.0096
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0047 0.1715 0.7755
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0056 0.2211 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0047 0.1715 0.7755
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0056 0.2211 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0179 0.9091 1
Schistosoma mansoni growth factor receptor-bound protein 0.0018 0.0096 0.0096

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 26 uM Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by colorimetric assay ChEMBL. 23391306
IC50 (binding) = 49.2 uM Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-alanine as substrate by colorimetric assay ChEMBL. 23391306
IC50 (binding) = 8213 uM Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mins by fluorescence assay ChEMBL. 23391306
IC50 (binding) > 10000 uM Inhibition of human recombinant N-terminal His-tagged DDO expressed in Escherichia coli BL21(DE3) using D-aspartate as substrate by colorimetric assay ChEMBL. 23391306
Inhibition (binding) Inhibition of human recombinant N-terminal His-tagged DDO expressed in Escherichia coli BL21(DE3) using D-aspartate as substrate by colorimetric assay ChEMBL. 23391306
Inhibition (binding) Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mins by fluorescence assay ChEMBL. 23391306
Kd (binding) = 260 nM Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase ChEMBL. 10072676
Kd (binding) = 260 nM Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase ChEMBL. 10072676
Kd (binding) = 700 nM Dissociation constant for binding to SH2 domain of Fyn protein kinase ChEMBL. 10072676
Kd (binding) = 700 nM Dissociation constant for binding to SH2 domain of Fyn protein kinase ChEMBL. 10072676
Ki (binding) = 8.16 uM Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by Lineweaver-Burk plot analysis ChEMBL. 23391306

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

2 literature references were collected for this gene.

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