Detailed information for compound 1068020

Basic information

Technical information
  • TDR Targets ID: 1068020
  • Name: 3-[(3,4-difluorophenyl)sulfanylmethyl]-N,N'-d i(propan-2-yl)-1,2-oxazole-4,5-dicarboxamide
  • MW: 397.439 | Formula: C18H21F2N3O3S
  • H donors: 2 H acceptors: 3 LogP: 3.1 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)c1c(CSc2ccc(c(c2)F)F)noc1C(=O)NC(C)C)C
  • InChi: 1S/C18H21F2N3O3S/c1-9(2)21-17(24)15-14(23-26-16(15)18(25)22-10(3)4)8-27-11-5-6-12(19)13(20)7-11/h5-7,9-10H,8H2,1-4H3,(H,21,24)(H,22,25)
  • InChiKey: FWAPTGGWTORMAD-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[(3,4-difluorophenyl)sulfanylmethyl]-N,N'-diisopropyl-isoxazole-4,5-dicarboxamide
  • 3-[[(3,4-difluorophenyl)thio]methyl]-N,N'-diisopropylisoxazole-4,5-dicarboxamide
  • 3-[[(3,4-difluorophenyl)thio]methyl]-N,N'-diisopropyl-isoxazole-4,5-dicarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716

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 %
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
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0029 0.0268 0.6979
Echinococcus multilocularis lysyl tRNA synthetase 0.0047 0.0464 0.0608
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.041 0.0618
Toxoplasma gondii glycyl-tRNA synthetase 0.0012 0.0068 0.0103
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trichomonas vaginalis sugar transporter, putative 0.0065 0.067 0.2906
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0548 0.2379
Loa Loa (eye worm) hypothetical protein 0.0047 0.0464 0.2012
Trichomonas vaginalis glucose transporter, putative 0.0029 0.0268 0.1163
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0065 0.0666 0.1004
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0065 0.0666 0.0872
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0029 0.0268 0.5643
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0063 0.0646 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0073 0.0764 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.021 0.2305 0.3021
Toxoplasma gondii YbaK/proline-tRNA ligase associated domain-containing protein 0.001 0.0053 0.0079
Schistosoma mansoni aspartyl-tRNA synthetase 0.0007 0.0015 0.0019
Toxoplasma gondii sugar transporter ST3 0.0029 0.0268 0.0404
Onchocerca volvulus 0.0029 0.0268 1
Trypanosoma cruzi sugar transporter, putative 0.0029 0.0268 0.351
Onchocerca volvulus 0.0029 0.0268 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0065 0.0666 0.1004
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0371 0.5566
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Onchocerca volvulus 0.0029 0.0268 1
Onchocerca volvulus 0.0029 0.0268 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0065 0.0666 0.1004
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0548 0.0719
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0029 0.0268 0.0351
Toxoplasma gondii sugar transporter ST1 0.0029 0.0268 0.0404
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0371 0.0371
Brugia malayi Sugar transporter family protein 0.0029 0.0268 0.1163
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0548 0.849
Echinococcus granulosus solute carrier family 22 0.0029 0.0268 0.0351
Mycobacterium tuberculosis Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase) 0.0012 0.0068 0.1774
Treponema pallidum prolyl-tRNA synthetase 0.0022 0.0186 1
Brugia malayi MH2 domain containing protein 0.001 0.0046 0.0199
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0548 0.0719
Schistosoma mansoni sugar transporter 0.0029 0.0268 0.0351
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1564 0.6783
Onchocerca volvulus 0.0029 0.0268 1
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trypanosoma cruzi histidyl-tRNA synthetase 0.0007 0.0015 0.0195
Plasmodium falciparum asparagine--tRNA ligase 0.0007 0.0015 0.0015
Brugia malayi Sugar transporter family protein 0.0029 0.0268 0.1163
Plasmodium vivax glycine--tRNA ligase, putative 0.0012 0.0068 0.0068
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Loa Loa (eye worm) hypothetical protein 0.0063 0.0646 0.2802
Plasmodium falciparum proline--tRNA ligase 0.0073 0.0764 0.0764
Brugia malayi Cam kinase protein 1 0.0065 0.0666 0.2888
Plasmodium vivax calcium-dependent protein kinase, putative 0.0065 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Loa Loa (eye worm) hypothetical protein 0.0063 0.0646 0.2802
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Trichomonas vaginalis glycyl-tRNA synthetase, putative 0.0007 0.0015 0.0065
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0047 0.0464 0.6074
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0047 0.0464 0.2012
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0268 0.1163
Brugia malayi hypothetical protein 0.0029 0.0268 0.1163
Plasmodium falciparum calcium-dependent protein kinase 3 0.0065 0.0666 0.0666
Toxoplasma gondii histidyl-tRNA synthetase (HisRS), putative 0.0007 0.0015 0.0022
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0047 0.0464 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0268 0.1163
Leishmania major glucose transporter, lmgt2 0.0065 0.067 0.8771
Plasmodium falciparum calcium-dependent protein kinase 4 0.0065 0.0666 0.0666
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.021 0.2305 0.3021
Onchocerca volvulus 0.0029 0.0268 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.041 0.0618
Plasmodium vivax proline--tRNA ligase, putative 0.0073 0.0764 0.0764
Schistosoma mansoni protein kinase 0.0065 0.0666 0.0872
Plasmodium vivax histidine--tRNA ligase, putative 0.0007 0.0015 0.0015
Schistosoma mansoni sugar transporter 0.0029 0.0268 0.0351
Schistosoma mansoni lysyl-tRNA synthetase 0.0047 0.0464 0.0608
Giardia lamblia Threonyl-tRNA synthetase 0.0012 0.0068 0.1055
Chlamydia trachomatis threonine--tRNA ligase 0.0012 0.0068 0.1193
Leishmania major aspartyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Entamoeba histolytica protein kinase, putative 0.0065 0.0666 1
Brugia malayi major facilitator superfamily protein 0.0029 0.0268 0.1163
Loa Loa (eye worm) histidyl-tRNA synthetase 0.0007 0.0015 0.0065
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Plasmodium falciparum histidine--tRNA ligase, putative 0.0007 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Trypanosoma cruzi Aminoacyl-tRNA editing domain containing protein, putative 0.001 0.0053 0.0689
Trichomonas vaginalis aspartyl/lysyl-tRNA synthetase, putative 0.0007 0.0015 0.0063
Echinococcus multilocularis calcium dependent protein kinase 0.006 0.0616 0.0807
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0548 0.2379
Echinococcus multilocularis asparaginyl tRNA synthetase, cytoplasmic 0.0007 0.0015 0.0019
Leishmania major histidyl-tRNA synthetase, putative 0.0007 0.0015 0.0195
Entamoeba histolytica glycyl-tRNA synthetase, putative 0.0012 0.0068 0.1023
Schistosoma mansoni glucose transporter 0.0029 0.0268 0.0351
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Entamoeba histolytica protein kinase, putative 0.0065 0.0666 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0548 0.0826
Loa Loa (eye worm) threonyl-tRNA synthetase 0.0012 0.0068 0.0296
Chlamydia trachomatis histidine--tRNA ligase 0.0007 0.0015 0.0008
Echinococcus granulosus Sugar transporter ERD6 protein 0.0029 0.0268 0.0351
Brugia malayi Aspartyl-tRNA synthetase 0.0007 0.0015 0.0063
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0063 0.0646 0.2802
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0548 0.718
Leishmania major glucose transporter, lmgt1 0.0065 0.067 0.8771
Trypanosoma brucei asparaginyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Echinococcus granulosus solute carrier family 22 0.0029 0.0268 0.0351
Plasmodium falciparum glycine--tRNA ligase 0.0007 0.0015 0.0015
Trypanosoma cruzi hexose transporter, putative 0.0036 0.0337 0.4407
Trypanosoma cruzi hexose transporter, putative 0.0065 0.067 0.8771
Schistosoma mansoni aspartyl-tRNA synthetase 0.0007 0.0015 0.0019
Plasmodium falciparum aspartate--tRNA ligase 0.0007 0.0015 0.0015
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trypanosoma brucei glucose transporter 1E 0.0065 0.067 0.8771
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0548 0.2379
Schistosoma mansoni glucose transport protein 0.021 0.2305 0.3021
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0548 0.718
Trichomonas vaginalis interferon-induced, double-stranded RNA-activated protein kinase, putative 0.0007 0.0015 0.0065
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0268 0.1163
Schistosoma mansoni aspartyl-tRNA synthetase 0.0007 0.0015 0.0019
Plasmodium vivax lysine--tRNA ligase, putative 0.0047 0.0464 0.0464
Toxoplasma gondii aspartate-tRNA ligase 0.0007 0.0015 0.0022
Schistosoma mansoni protein kinase 0.0065 0.0666 0.0872
Mycobacterium leprae conserved hypothetical protein 0.001 0.0053 0.0815
Leishmania major aspartyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Trypanosoma cruzi hexose transporter 0.0065 0.067 0.8771
Echinococcus multilocularis aspartyl tRNA synthetase, cytoplasmic 0.0007 0.0015 0.0019
Loa Loa (eye worm) aspartyl-tRNA synthetase 0.0007 0.0015 0.0063
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0012 0.0068 0.0296
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0065 0.0666 0.0666
Schistosoma mansoni glucose transport protein 0.021 0.2305 0.3021
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0666 0.0872
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0047 0.0464 0.7182
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0063 0.0646 0.2802
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0029 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0666 0.2888
Schistosoma mansoni aspartyl-tRNA synthetase 0.0007 0.0015 0.0019
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0047 0.0464 0.6074
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trichomonas vaginalis conserved hypothetical protein 0.021 0.2305 1
Plasmodium falciparum hexose transporter 0.021 0.2305 0.2305
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0073 0.0764 1
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0026 0.0227 0.0983
Schistosoma mansoni protein kinase 0.0065 0.0666 0.0872
Brugia malayi hypothetical protein 0.0029 0.0268 0.1163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.1551 0.2033
Trichomonas vaginalis threonyl-tRNA synthetase, putative 0.0012 0.0068 0.0296
Trypanosoma brucei Aminoacyl-tRNA editing domain containing protein, putative 0.001 0.0053 0.0689
Brugia malayi probable proline-trna synthetase - fission yeast, putative 0.0012 0.0068 0.0296
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0029 0.0268 0.0268
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0073 0.0764 0.1151
Echinococcus granulosus microtubule associated protein 2 0.0681 0.7631 1
Plasmodium falciparum mitogen-activated protein kinase 2 0.0339 0.377 0.377
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0073 0.0764 1
Echinococcus multilocularis glycyl tRNA synthetase 0.0012 0.0068 0.0089
Entamoeba histolytica asparaginyl-tRNA synthetase, putative 0.0007 0.0015 0.0218
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0065 0.0666 0.0872
Loa Loa (eye worm) sugar transporter 0.0029 0.0268 0.1163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Plasmodium falciparum threonine--tRNA ligase 0.0012 0.0068 0.0068
Loa Loa (eye worm) Smad1 0.001 0.0046 0.0199
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0065 0.0666 0.0666
Brugia malayi Sugar transporter family protein 0.021 0.2305 1
Leishmania major glucose transporter, lmgt3 0.0065 0.067 0.8771
Plasmodium vivax asparagine--tRNA ligase, putative 0.0007 0.0015 0.0015
Brugia malayi hypothetical protein 0.0029 0.0268 0.1163
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1564 0.6783
Schistosoma mansoni smad1 5 8 and 0.001 0.0046 0.006
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0548 0.718
Toxoplasma gondii sugar transporter ST2 0.0029 0.0268 0.0404
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0029 0.0268 0.351
Echinococcus granulosus histidyl tRNA synthetase 0.0007 0.0015 0.0019
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Echinococcus multilocularis solute carrier family 22 0.0029 0.0268 0.0351
Mycobacterium ulcerans glycyl-tRNA synthetase 0.0012 0.0068 0.1193
Echinococcus multilocularis Smad4 0.001 0.0046 0.006
Echinococcus granulosus aspartyl tRNA synthetase cytoplasmic 0.0007 0.0015 0.0019
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0548 0.718
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Giardia lamblia Glycyl-tRNA synthetase 0.0012 0.0068 0.1055
Echinococcus granulosus General substrate transporter 0.018 0.1972 0.2584
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Plasmodium vivax sugar transporter, putative 0.0029 0.0268 0.0268
Echinococcus granulosus calcium activated potassium channel 0.0008 0.0021 0.0028
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0666 0.0872
Trypanosoma brucei glycyl-tRNA synthetase, putative 0.0012 0.0068 0.0892
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0666 0.0872
Toxoplasma gondii anticodon binding domain-containing protein 0.0007 0.0015 0.0022
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.021 0.2305 0.3021
Brugia malayi MH1 domain containing protein 0.001 0.0046 0.0199
Mycobacterium leprae Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase) 0.0012 0.0068 0.1055
Trypanosoma brucei glucose transporter, putative 0.0065 0.067 0.8771
Plasmodium vivax asparagine--tRNA ligase, putative 0.0007 0.0015 0.0015
Trypanosoma cruzi hexose transporter, putative 0.0065 0.067 0.8771
Trichomonas vaginalis CAMK family protein kinase 0.0065 0.0666 0.2888
Trypanosoma cruzi hexose transporter, putative 0.0065 0.067 0.8771
Leishmania major hypothetical protein, conserved 0.001 0.0053 0.0689
Chlamydia trachomatis proline--tRNA ligase 0.0022 0.0186 0.3815
Trypanosoma brucei aspartyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Leishmania major glucose transporter/membrane transporter D2, putative 0.0065 0.067 0.8771
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0065 0.0666 0.0872
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0063 0.0646 0.9702
Mycobacterium ulcerans histidyl-tRNA synthetase 0.0007 0.0015 0.0008
Echinococcus multilocularis General substrate transporter 0.018 0.1972 0.2584
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0065 0.0666 0.2888
Schistosoma mansoni sugar transporter 0.0029 0.0268 0.0351
Schistosoma mansoni histidyl-tRNA synthetase 0.0007 0.0015 0.0019
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.004 0.0384 1
Trichomonas vaginalis myo-inositol transporter, putative 0.0029 0.0268 0.1163
Brugia malayi major facilitator superfamily protein 0.0029 0.0268 0.1163
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0073 0.0764 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0339 0.377 0.5681
Plasmodium falciparum calcium-dependent protein kinase 2 0.0065 0.0666 0.0666
Echinococcus multilocularis smad 0.001 0.0046 0.006
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0046 0.0199
Toxoplasma gondii threonyl-tRNA synthetase family protein 0.0012 0.0068 0.0103
Giardia lamblia Prolyl-tRNA synthetase 0.0063 0.0646 1
Trypanosoma brucei glucose transporter, putative 0.0065 0.067 0.8771
Entamoeba histolytica hypothetical protein 0.0047 0.0464 0.6968
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.021 0.2305 0.3021
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0012 0.0068 0.0892
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0268 0.1163
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0029 0.0268 0.0351
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.021 0.2305 0.3021
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0022 0.0186 0.3815
Brugia malayi Smad1 0.001 0.0046 0.0199
Wolbachia endosymbiont of Brugia malayi threonyl-tRNA synthetase 0.0012 0.0068 0.2114
Trypanosoma cruzi hexose transporter, putative 0.0029 0.0268 0.351
Onchocerca volvulus 0.0029 0.0268 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0053 0.0228
Giardia lamblia Aspartyl-tRNA synthetase 0.0007 0.0015 0.0225
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trichomonas vaginalis glucose transporter, putative 0.0065 0.067 0.2906
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0063 0.0646 0.0846
Wolbachia endosymbiont of Brugia malayi prolyl-tRNA synthetase 0.0012 0.0068 0.2114
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Entamoeba histolytica threonyl-tRNA synthetase, putative 0.0012 0.0068 0.1023
Schistosoma mansoni glucose transport protein 0.021 0.2305 0.3021
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0047 0.0464 1
Mycobacterium ulcerans sugar transporter 0.0029 0.0268 0.5643
Trichomonas vaginalis sugar transporter, putative 0.0065 0.067 0.2906
Echinococcus multilocularis solute carrier family 22 0.0029 0.0268 0.0351
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.067 0.2906
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0046 0.0199
Onchocerca volvulus 0.0029 0.0268 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0065 0.0666 0.2888
Schistosoma mansoni histidyl-tRNA synthetase 0.0007 0.0015 0.0019
Trypanosoma brucei glucose transporter, putative 0.0065 0.067 0.8771
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Leishmania major hypothetical protein, conserved 0.001 0.0053 0.0689
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0053 0.0689
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0339 0.377 0.377
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0548 0.718
Loa Loa (eye worm) 63kd antigen 0.0007 0.0015 0.0063
Schistosoma mansoni aspartyl-tRNA synthetase 0.0007 0.0015 0.0019
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Leishmania major threonyl-tRNA synthetase, putative 0.0012 0.0068 0.0892
Schistosoma mansoni smad1 5 8 and 0.001 0.0046 0.006
Brugia malayi MH2 domain containing protein 0.001 0.0046 0.0199
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Leishmania major lysyl-tRNA synthetase, putative 0.0047 0.0464 0.6074
Toxoplasma gondii lysine-tRNA ligase 0.0047 0.0464 0.0699
Treponema pallidum threonyl-tRNA synthetase 0.0012 0.0068 0.3127
Echinococcus granulosus asparaginyl tRNA synthetase, cytoplasmic 0.0007 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Schistosoma mansoni aspartyl-tRNA synthetase 0.0007 0.0015 0.0019
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0548 0.2379
Trichomonas vaginalis sugar transporter, putative 0.0065 0.067 0.2906
Echinococcus granulosus asparaginyl tRNA synthetase cytoplasmic 0.0007 0.0015 0.0019
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0053 0.0689
Schistosoma mansoni glycyl-tRNA synthetase 0.0012 0.0068 0.0089
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.021 0.2305 0.3021
Trypanosoma cruzi glycyl-tRNA synthetase, putative 0.0007 0.0015 0.0195
Echinococcus multilocularis solute carrier family 22 0.0029 0.0268 0.0351
Trichomonas vaginalis sugar transport protein, putative 0.0029 0.0268 0.1163
Mycobacterium tuberculosis Conserved hypothetical protein 0.001 0.0053 0.137
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Onchocerca volvulus 0.0029 0.0268 1
Trypanosoma brucei glucose transporter, putative 0.0065 0.067 0.8771
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.021 0.2305 0.3021
Brugia malayi Asparaginyl-tRNA synthetase, cytoplasmic 0.0007 0.0015 0.0063
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Onchocerca volvulus 0.0029 0.0268 1
Plasmodium vivax hexose transporter 0.021 0.2305 0.2305
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Schistosoma mansoni hypothetical protein 0.0205 0.2247 0.2944
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0268 0.1163
Schistosoma mansoni threonyl-tRNA synthetase 0.0007 0.0015 0.0019
Schistosoma mansoni microtubule-associated protein tau 0.0681 0.7631 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.004 0.0384 1
Entamoeba histolytica aspartyl-tRNA synthetase, putative 0.0007 0.0015 0.0218
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0548 0.0719
Leishmania major lysyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Trypanosoma brucei THT1 - hexose transporter, putative 0.0065 0.067 0.8771
Trypanosoma brucei aspartyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0041 0.0399 0.1729
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Plasmodium falciparum asparagine--tRNA ligase 0.0007 0.0015 0.0015
Echinococcus multilocularis solute carrier family 22 0.0029 0.0268 0.0351
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0063 0.0646 0.0846
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0666 0.0872
Loa Loa (eye worm) hypothetical protein 0.0012 0.0068 0.0296
Trypanosoma brucei threonyl-tRNA synthetase, putative 0.0012 0.0068 0.0892
Leishmania major hypothetical protein, conserved 0.0029 0.0268 0.351
Trypanosoma brucei sugar transporter, putative 0.0029 0.0268 0.351
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0063 0.0646 0.0846
Plasmodium vivax aspartate--tRNA ligase, putative 0.0007 0.0015 0.0015
Brugia malayi MAP kinase sur-1 0.0054 0.0548 0.2379
Echinococcus multilocularis asparaginyl tRNA synthetase 0.0007 0.0015 0.0019
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0046 0.006
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0046 0.006
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Echinococcus granulosus solute carrier family 22 0.0029 0.0268 0.0351
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0073 0.0764 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.041 0.0537
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0065 0.0666 0.0872
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trypanosoma brucei glucose transporter, putative 0.0065 0.067 0.8771
Plasmodium falciparum lysine--tRNA ligase 0.0047 0.0464 0.0464
Schistosoma mansoni Smad4 0.001 0.0046 0.006
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Toxoplasma gondii transporter, major facilitator family protein 0.0029 0.0268 0.0404
Giardia lamblia Asparaginyl-tRNA synthetase 0.0007 0.0015 0.0225
Trypanosoma cruzi glycyl-tRNA synthetase, putative 0.0007 0.0015 0.0195
Schistosoma mansoni hypothetical protein 0.0205 0.2247 0.2944
Leishmania major glycyl tRNA synthetase, putative 0.0007 0.0015 0.0195
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0548 0.718
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.041 0.1779
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.067 0.2906
Entamoeba histolytica histidyl-tRNA synthetase, putative 0.0007 0.0015 0.0223
Onchocerca volvulus 0.0029 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Schistosoma mansoni sugar transporter 0.0029 0.0268 0.0351
Echinococcus granulosus geminin 0.0205 0.2247 0.2944
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0065 0.0666 0.8717
Echinococcus granulosus Smad4 0.001 0.0046 0.006
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0063 0.0646 0.0846
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0666 0.0872
Plasmodium falciparum calcium-dependent protein kinase 1 0.0065 0.0666 0.0666
Echinococcus granulosus synaptic vesicle 2 protein 0.0029 0.0268 0.0351
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0371 0.5737
Schistosoma mansoni aspartyl-tRNA synthetase 0.0007 0.0015 0.0019
Trypanosoma brucei glucose transporter, putative 0.0065 0.067 0.8771
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0268 0.1163
Mycobacterium ulcerans threonyl-tRNA synthetase 0.0012 0.0068 0.1193
Trypanosoma brucei THT1 - hexose transporter, putative 0.0065 0.067 0.8771
Echinococcus multilocularis calcium activated potassium channel 0.0008 0.0021 0.0028
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.004 0.0384 0.5947
Onchocerca volvulus 0.0029 0.0268 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0046 0.006
Echinococcus granulosus Threonyl tRNA synthetase C 0.0012 0.0068 0.0089
Echinococcus granulosus glycyl tRNA synthetase 0.0012 0.0068 0.0089
Echinococcus multilocularis microtubule associated protein 2 0.0681 0.7631 1
Brugia malayi glycyl-tRNA synthetase 0.0012 0.0068 0.0296
Trypanosoma brucei glucose transporter, putative 0.0065 0.067 0.8771
Trypanosoma brucei protein kinase, putative 0.0054 0.0548 0.718
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0029 0.0268 0.6979
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Loa Loa (eye worm) acetyltransferase 0.0143 0.1551 0.6729
Treponema pallidum glycyl-tRNA synthetase 0.0007 0.0015 0.002
Leishmania major myo-inositol/proton symporter (MIT) 0.0029 0.0268 0.351
Schistosoma mansoni hypothetical protein 0.021 0.2305 0.3021
Brugia malayi lysyl-tRNA synthetase 0.0047 0.0464 0.2012
Chlamydia trachomatis lysine--tRNA ligase 0.0047 0.0464 1
Plasmodium vivax threonine--tRNA ligase, putative 0.0012 0.0068 0.0068
Toxoplasma gondii facilitative glucose transporter GT1 0.021 0.2305 0.3473
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0268 0.1163
Onchocerca volvulus 0.0029 0.0268 1
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0029 0.0268 0.5643
Toxoplasma gondii protein kinase, putative 0.0593 0.6637 1
Trypanosoma brucei glucose transporter, putative 0.0065 0.067 0.8771
Echinococcus multilocularis geminin 0.0205 0.2247 0.2944
Trichomonas vaginalis glucose transporter, putative 0.0065 0.067 0.2906
Echinococcus granulosus smad 0.001 0.0046 0.006
Mycobacterium ulcerans integral membrane transport protein 0.0029 0.0268 0.5643
Schistosoma mansoni aspartyl-tRNA synthetase 0.0007 0.0015 0.0019
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0268 0.1163
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0046 0.006
Loa Loa (eye worm) hypothetical protein 0.0051 0.0513 0.2224
Schistosoma mansoni smad 0.001 0.0046 0.006
Giardia lamblia Hexose transporter 0.0029 0.0268 0.415
Brugia malayi MH1 domain containing protein 0.001 0.0046 0.0199
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.021 0.2305 0.3021
Trypanosoma cruzi glucose transporter, putative 0.0029 0.0268 0.351
Trypanosoma cruzi asparaginyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Echinococcus multilocularis asparaginyl tRNA synthetase, cytoplasmic 0.0007 0.0015 0.0019
Echinococcus granulosus calcium dependent protein kinase 0.006 0.0616 0.0807
Giardia lamblia Sugar-proton symporter 0.0029 0.0268 0.415
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0548 0.2379
Schistosoma mansoni lysyl-tRNA synthetase 0.0047 0.0464 0.0608
Onchocerca volvulus Putative transporter 0.0029 0.0268 1
Onchocerca volvulus 0.0029 0.0268 1
Brugia malayi MH2 domain containing protein 0.0144 0.1564 0.6783
Trypanosoma brucei THT1 - hexose transporter, putative 0.0065 0.067 0.8771
Trypanosoma cruzi Aminoacyl-tRNA editing domain containing protein, putative 0.001 0.0053 0.0689
Wolbachia endosymbiont of Brugia malayi histidyl-tRNA synthetase 0.0007 0.0015 0.0014
Giardia lamblia Lysyl-tRNA synthetase 0.0047 0.0464 0.7182
Leishmania major asparaginyl-tRNA synthetase, putative 0.0007 0.0015 0.019
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.041 0.041
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0046 0.006
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0268 0.1163
Echinococcus granulosus solute carrier family 22 0.0029 0.0268 0.0351
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.1551 0.2033
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0548 0.0719
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0065 0.0666 0.0666
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.1551 0.6729
Brugia malayi threonyl-tRNA synthetase, cytoplasmic 0.0012 0.0068 0.0296
Trypanosoma brucei histidyl-tRNA synthetase 0.0007 0.0015 0.0195
Schistosoma mansoni smad1 5 8 and 0.001 0.0046 0.006
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0063 0.0646 0.2802
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0548 0.0719
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0268 0.1163
Leishmania major protein kinase, putative 0.0065 0.0666 0.8717
Onchocerca volvulus 0.0029 0.0268 1
Echinococcus multilocularis Threonyl tRNA synthetase, C 0.0012 0.0068 0.0089
Echinococcus multilocularis histidyl tRNA synthetase 0.0007 0.0015 0.0019
Onchocerca volvulus 0.0029 0.0268 1
Echinococcus granulosus lysyl tRNA synthetase 0.0047 0.0464 0.0608
Mycobacterium ulcerans hypothetical protein 0.001 0.0053 0.0848
Loa Loa (eye worm) sugar transporter 0.021 0.2305 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0053 0.0228
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0268 0.1163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.1163
Trypanosoma brucei glucose transporter 2A 0.0065 0.067 0.8771
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.1506 0.1973
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0065 0.0666 0.2888
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0012 0.0068 0.0892
Plasmodium falciparum protein kinase 7 0.0593 0.6637 0.6637
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0053 0.0228
Plasmodium falciparum calcium-dependent protein kinase 5 0.0065 0.0666 0.0666
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.041 0.1779
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0548 0.718
Echinococcus multilocularis synaptic vesicle 2 protein 0.0029 0.0268 0.0351

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 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) 5.1735 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) 12.9953 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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