Detailed information for compound 1520902

Basic information

Technical information
  • TDR Targets ID: 1520902
  • Name: methyl 4-acetamidothiophene-3-carboxylate
  • MW: 199.227 | Formula: C8H9NO3S
  • H donors: 1 H acceptors: 2 LogP: 1.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cscc1NC(=O)C
  • InChi: 1S/C8H9NO3S/c1-5(10)9-7-4-13-3-6(7)8(11)12-2/h3-4H,1-2H3,(H,9,10)
  • InChiKey: AVVROEVEDPDFTH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-acetamido-3-thiophenecarboxylic acid methyl ester
  • 4-acetamidothiophene-3-carboxylic acid methyl ester
  • ZINC00338736
  • AA-516/12432081
  • SMR000162629
  • methyl 4-(acetylamino)-3-thiophenecarboxylate
  • MLS000545212

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.2964 0.2964
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0437 0.1466
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1255 0.1255
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0011 0.0041 0.0041
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.2964 0.2964
Plasmodium vivax importin-beta 2, putative 0.0035 0.0691 0.2406
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0437 0.1466
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.027 0.0847
Echinococcus multilocularis cysteine protease 0.0011 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0035 0.0691 0.0691
Schistosoma mansoni rab6-interacting 0.002 0.027 0.027
Onchocerca volvulus 0.002 0.027 1
Brugia malayi hypothetical protein 0.002 0.027 0.0726
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0437 0.1176
Schistosoma mansoni polycystin 1-related 0.002 0.027 0.027
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0011 0.0041 0.0041
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.027 0.027
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0437 0.6092
Brugia malayi Doublecortin family protein 0.002 0.027 0.0726
Plasmodium falciparum importin beta, putative 0.0035 0.0691 0.2406
Brugia malayi Cathepsin L-like precursor 0.0011 0.0041 0.0109
Brugia malayi Cathepsin L-like precursor 0.0011 0.0041 0.0109
Echinococcus multilocularis cathepsin L 0.0011 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.002 0.027 0.027
Loa Loa (eye worm) ctsf protein 0.0011 0.0041 0.0041
Echinococcus multilocularis cathepsin L cysteine protease 0.0011 0.0041 0.0041
Brugia malayi Cathepsin L-like precursor 0.0011 0.0041 0.0109
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1255 0.1255
Loa Loa (eye worm) hypothetical protein 0.002 0.027 0.027
Plasmodium falciparum cysteine proteinase falcipain 1 0.0109 0.2743 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0437 0.0437
Plasmodium falciparum LCCL domain-containing protein 0.002 0.027 0.0847
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0437 0.0437
Loa Loa (eye worm) cysteine protease 0.0011 0.0041 0.0041
Loa Loa (eye worm) doublecortin family protein 0.002 0.027 0.027
Entamoeba histolytica hypothetical protein 0.0028 0.0509 1
Entamoeba histolytica Ran family GTPase 0.0026 0.0437 0.8461
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0011 0.0041 0.0041
Echinococcus granulosus cathepsin L cysteine protease 0.0011 0.0041 0.0041
Schistosoma mansoni importin beta-1 0.0035 0.0691 0.0691
Plasmodium vivax unspecified product 0.0102 0.2543 0.9259
Schistosoma mansoni lipoxygenase 0.0082 0.1991 0.1991
Echinococcus granulosus cathepsin L 0.0011 0.0041 0.0041
Echinococcus granulosus cysteine protease 0.0011 0.0041 0.0041
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1255 0.338
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0691 1
Echinococcus multilocularis cysteine protease 0.0011 0.0041 0.0041
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0011 0.0041 0.0041
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0509 1
Schistosoma mansoni hypothetical protein 0.0372 1 1
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.027 0.027
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0509 1
Echinococcus multilocularis snurportin 1 0.0372 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1255 0.1255
Brugia malayi Importin beta-1 subunit 0.0035 0.0691 0.1861
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0011 0.0041 0.0041
Leishmania major GTP-binding protein, putative 0.0026 0.0437 0.8461
Brugia malayi Cathepsin L-like precursor 0.0011 0.0041 0.0109
Onchocerca volvulus 0.002 0.027 1
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0041 0.0041
Plasmodium vivax unspecified product 0.0109 0.2743 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1255 0.1255
Brugia malayi Papain family cysteine protease containing protein 0.0011 0.0041 0.0109
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0437 0.6092
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0691 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0011 0.0041 0.0041
Brugia malayi MH2 domain containing protein 0.0144 0.3712 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0691 0.0691
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1255 0.1255
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.027 0.027
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0509 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0011 0.0041 0.0041
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.027 0.027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1255 0.1255
Brugia malayi Cathepsin L-like precursor 0.0011 0.0041 0.0109
Loa Loa (eye worm) fibroinase 0.0011 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.002 0.027 0.027
Schistosoma mansoni ran 0.0026 0.0437 0.0437
Schistosoma mansoni rab6-interacting 0.002 0.027 0.027
Schistosoma mansoni ran 0.0026 0.0437 0.0437
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0437 0.5
Echinococcus multilocularis RUN 0.002 0.027 0.027
Brugia malayi hypothetical protein 0.002 0.027 0.0726
Schistosoma mansoni loxhd1 0.002 0.027 0.027
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0437 0.0437
Brugia malayi Cathepsin L-like precursor 0.0011 0.0041 0.0109
Echinococcus multilocularis cathepsin L cysteine protease 0.0011 0.0041 0.0041
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0437 0.8461
Echinococcus granulosus RUN 0.002 0.027 0.027
Brugia malayi Papain family cysteine protease containing protein 0.0011 0.0041 0.0109
Schistosoma mansoni lipoxygenase 0.0117 0.2964 0.2964
Plasmodium vivax vivapain-1 0.0109 0.2743 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.027 0.027
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0691 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1255 0.1255
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3712 0.3712
Leishmania major importin beta-1 subunit, putative 0.0028 0.0509 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3712 0.3712
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0437 0.8461
Echinococcus granulosus cathepsin l1 0.0011 0.0041 0.0041
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0041 0.0041
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0509 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0691 0.0691
Loa Loa (eye worm) hypothetical protein 0.0011 0.0041 0.0041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1255 0.1255
Brugia malayi RNA, U transporter 1 0.0099 0.2465 0.6639
Brugia malayi Papain family cysteine protease containing protein 0.0011 0.0041 0.0109
Echinococcus granulosus cathepsin l cysteine peptidase 0.0011 0.0041 0.0041
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.027 0.027
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0011 0.0041 0.0041
Trichomonas vaginalis ran, putative 0.0026 0.0437 0.8461

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4581 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 2.2387 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) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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