Detailed information for compound 1257316

Basic information

Technical information
  • TDR Targets ID: 1257316
  • Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4- oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3- d]pyrimidin-2-yl)propanamide
  • MW: 385.48 | Formula: C20H23N3O3S
  • H donors: 1 H acceptors: 4 LogP: 3.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(o1)CN(C(=O)CCc1nc(O)c2c(n1)sc1c2CCCC1)C
  • InChi: 1S/C20H23N3O3S/c1-12-7-8-13(26-12)11-23(2)17(24)10-9-16-21-19(25)18-14-5-3-4-6-15(14)27-20(18)22-16/h7-8H,3-6,9-11H2,1-2H3,(H,21,22,25)
  • InChiKey: YXEWUYGABHSLIE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-methyl-N-[(5-methyl-2-furyl)methyl]-3-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propanamide
  • 3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)-N-methyl-N-[(5-methyl-2-furyl)methyl]propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens Bloom syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
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 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni blooms syndrome DNA helicase 0.0043 0.1191 0.9924
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0443 0.3537
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.12 1
Trypanosoma brucei unspecified product 0.0016 0.0171 0.122
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0044
Mycobacterium tuberculosis Conserved protein 0.0043 0.12 0.0793
Plasmodium vivax hypothetical protein, conserved 0.0043 0.12 1
Onchocerca volvulus 0.0043 0.12 1
Schistosoma mansoni DNA helicase recq5 0.0023 0.0416 0.3468
Loa Loa (eye worm) hypothetical protein 0.0166 0.582 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0026 0.0214
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0443 0.3537
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.12 0.0793
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0443 0.2609
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0171 0.122
Loa Loa (eye worm) hypothetical protein 0.0043 0.12 0.2062
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0416 0.3468
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.12 1
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.1047 0.8719
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0023 0.0416 0.2444
Trichomonas vaginalis rotamase, putative 0.004 0.1082 0.5415
Echinococcus multilocularis expressed protein 0.004 0.1082 0.6611
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0037 0.0941 0.7843
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0026 0.0214
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0044
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0026 0.0214
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0026 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Loa Loa (eye worm) beta-lactamase 0.0043 0.12 0.2062
Trypanosoma brucei unspecified product 0.0016 0.0171 0.122
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0171 0.122
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0044
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0443 0.3687
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0443 0.2609
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.1082 0.6611
Loa Loa (eye worm) hypothetical protein 0.0023 0.0443 0.076
Schistosoma mansoni rotamase 0.004 0.1082 0.9016
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0443 0.2609
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0023 0.0416 0.0715
Trichomonas vaginalis DNA helicase recq, putative 0.0055 0.1624 1
Brugia malayi beta-lactamase 0.0043 0.12 0.735
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.12 1
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0012 0.0028 0.5
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0023 0.0416 0.2444
Mycobacterium tuberculosis Conserved protein 0.0043 0.12 0.0793
Loa Loa (eye worm) hypothetical protein 0.0043 0.12 0.2062
Mycobacterium leprae conserved hypothetical protein 0.0043 0.12 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0026 0.0044
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.1047 0.8689
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.1047 1
Echinococcus granulosus bloom syndrome protein 0.0055 0.1624 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0171 0.122
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0443 0.3687
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0443 0.3687
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.12 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0012 0.0028 0.0232
Loa Loa (eye worm) hypothetical protein 0.0043 0.12 0.2062
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.12 0.735
Loa Loa (eye worm) RecQ helicase 0.0055 0.1624 0.279
Entamoeba histolytica recQ family helicase, putative 0.0029 0.0666 0.6364
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0023 0.0416 0.2444
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0026 0.0214
Mycobacterium ulcerans hypothetical protein 0.0043 0.12 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.12 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.12 0.735
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0028 0.0232
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0026 0.0044
Leishmania major DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0029 0.0666 0.5443
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.12 0.6414
Toxoplasma gondii ABC1 family protein 0.0043 0.12 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0026 0.0044
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.12 0.6414
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.12 0.6414
Onchocerca volvulus 0.0043 0.12 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0026 0.0214
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0044
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0443 0.2609
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Trichomonas vaginalis conserved hypothetical protein 0.004 0.1082 0.5415
Trypanosoma brucei unspecified product 0.0023 0.0443 0.3537
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0026 0.0214
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0443 0.3537
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0044
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0026 0.0214
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0029 0.0666 0.5443
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0416 0.3468
Echinococcus granulosus dna polymerase kappa 0.0023 0.0443 0.2609
Schistosoma mansoni DNA polymerase eta 0.0023 0.0443 0.3687
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.12 1
Mycobacterium ulcerans lipase LipD 0.0043 0.12 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0026 0.0214
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0443 0.3687
Echinococcus multilocularis dna polymerase eta 0.0023 0.0443 0.2609
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0443 0.3687
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.12 0.2062
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0023 0.0416 0.2444
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0026 0.0044
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.12 0.0793
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0443 0.076
Mycobacterium leprae Probable lipase LipE 0.0043 0.12 0.5
Echinococcus multilocularis bloom syndrome protein 0.0055 0.1624 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.12 0.0793
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0443 0.3537
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0443 0.3687
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.12 0.0793
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.1047 0.8689
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0416 0.2444
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0029 0.0666 0.5549
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0443 0.2609
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.1047 0.8719
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.12 0.0793
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0026 0.0044
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.12 0.0793
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0443 0.3687
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0048 0.1374 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0443 0.2609
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0026 0.0044
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0012 0.0028 0.0232
Loa Loa (eye worm) hypothetical protein 0.0043 0.12 0.2062
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.12 0.0793
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0443 0.3537
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0026 0.0214
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.12 0.0793
Trichomonas vaginalis esterase, putative 0.0043 0.12 0.6414
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.12 0.6414
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0026 0.0044
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0666 0.1891
Loa Loa (eye worm) hypothetical protein 0.0043 0.12 0.2062
Leishmania major hypothetical protein, conserved 0.0043 0.12 1
Echinococcus granulosus expressed protein 0.004 0.1082 0.6611
Trichomonas vaginalis rotamase, putative 0.0039 0.1047 0.5113
Brugia malayi beta-lactamase family protein 0.0043 0.12 0.735
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0026 0.0214
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0044
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.12 0.6414
Schistosoma mansoni DNA helicase recq1 0.0023 0.0416 0.3468
Loa Loa (eye worm) hypothetical protein 0.0023 0.0416 0.0715
Leishmania major DNA polymerase eta, putative 0.0023 0.0443 0.3537
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0443 0.3537
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.12 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0044
Treponema pallidum ATP-dependent DNA helicase 0.0012 0.00000000035005 0.5
Trichomonas vaginalis DNA helicase recq1, putative 0.0055 0.1624 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.1082 0.186
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.12 0.735
Brugia malayi Bloom's syndrome protein homolog 0.0055 0.1624 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.12 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0443 0.4229
Giardia lamblia DINP protein human, muc B family 0.0023 0.0443 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0044
Brugia malayi beta-lactamase family protein 0.0043 0.12 0.735
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0416 0.2444
Loa Loa (eye worm) hypothetical protein 0.0043 0.12 0.2062
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0026 0.0214
Onchocerca volvulus 0.0043 0.12 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0026 0.0214
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.1047 0.8719
Schistosoma mansoni coup transcription factor 0.0012 0.0026 0.0214

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.6138 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase: Confirmatory Assay for Cherry-picked Compounds.. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.0961 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase: BLM Helicase Counterscreen for WRN Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 19.0115 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 32.6427 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) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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