Detailed information for compound 1195826

Basic information

Technical information
  • TDR Targets ID: 1195826
  • Name: 5-(4-fluorophenyl)-7-(2-methoxyphenyl)-1,5,6, 7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
  • MW: 324.352 | Formula: C18H17FN4O
  • H donors: 1 H acceptors: 2 LogP: 3.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C1CC(Nc2n1ncn2)c1ccc(cc1)F
  • InChi: 1S/C18H17FN4O/c1-24-17-5-3-2-4-14(17)16-10-15(12-6-8-13(19)9-7-12)22-18-20-11-21-23(16)18/h2-9,11,15-16H,10H2,1H3,(H,20,21,22)
  • InChiKey: NHQDZHCDOHTKCQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STK120393
  • MLS000080307
  • SMR000035918

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) 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
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Echinococcus granulosus synaptic vesicle 2 protein 0.0016 0.0092 0.0018
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2823 0.6935
Brugia malayi Doublecortin family protein 0.0024 0.0259 0.0641
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0501 0.6473
Entamoeba histolytica protein kinase, putative 0.0035 0.0492 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1972 0.4125
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Trypanosoma brucei glucose transporter, putative 0.0035 0.0501 0.6473
Schistosoma mansoni lipoxygenase 0.0142 0.2786 0.9704
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.009 0.0013
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0492 0.1251
Echinococcus multilocularis RUN 0.0024 0.0259 0.0536
Onchocerca volvulus 0.0036 0.0519 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0473 0.1168
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.0477 0.1864
Mycobacterium ulcerans integral membrane transport protein 0.0016 0.0092 0.1636
Loa Loa (eye worm) hypothetical protein 0.0036 0.0519 0.1175
Leishmania major hypothetical protein, conserved 0.0016 0.0092 0.0036
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0225 0.0651
Schistosoma mansoni protein kinase 0.0035 0.0492 0.1458
Loa Loa (eye worm) glutathione reductase 0.0046 0.0725 0.169
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.009 0.1591
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0259 0.0536
Mycobacterium tuberculosis Conserved protein 0.0036 0.0519 0.0942
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0492 0.1251
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0092 0.0227
Schistosoma mansoni hypothetical protein 0.0024 0.0259 0.0624
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.009 0.0011
Plasmodium vivax glutathione reductase, putative 0.0046 0.0725 0.0642
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0519 0.1283
Onchocerca volvulus 0.0024 0.0259 0.3921
Schistosoma mansoni hypothetical protein 0.0113 0.2167 0.7478
Schistosoma mansoni sugar transporter 0.0016 0.0092 0.0021
Echinococcus multilocularis synaptic vesicle 2 protein 0.0016 0.0092 0.0018
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.4653 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Trichomonas vaginalis CAMK family protein kinase 0.0035 0.0492 0.1936
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Brugia malayi beta-lactamase family protein 0.0036 0.0519 0.1283
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.2167 0.6417
Brugia malayi glutathione reductase 0.0046 0.0725 0.1791
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.0597 0.7977
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0092 0.0011
Loa Loa (eye worm) hypothetical protein 0.0028 0.0341 0.0728
Leishmania major hypothetical protein, conserved 0.0036 0.0519 0.6761
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.009 0.0011
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0035 0.0492 0.0406
Loa Loa (eye worm) hypothetical protein 0.0025 0.0291 0.0604
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.0477 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0519 0.1337
Schistosoma mansoni eyes absent homolog 0.0087 0.1616 0.5498
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.2786 0.8327
Loa Loa (eye worm) hypothetical protein 0.0034 0.0477 0.1068
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0519 0.0942
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0519 0.207
Leishmania major glucose transporter, lmgt1 0.0035 0.0501 0.6473
Schistosoma mansoni glucose transporter 0.0016 0.0092 0.0021
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.2167 0.6417
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Trypanosoma brucei glucose transporter 1E 0.0035 0.0501 0.6473
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0259 0.0525
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0092 0.0105
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Plasmodium vivax hexose transporter 0.0113 0.2167 0.2096
Trypanosoma brucei glucose transporter, putative 0.0035 0.0501 0.6473
Onchocerca volvulus 0.0024 0.0259 0.3921
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0016 0.0092 0.1636
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.009 0.0221
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0113 0.2167 0.6417
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0519 0.207
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0092 0.0011
Trypanosoma brucei glucose transporter, putative 0.0035 0.0501 0.6473
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.0501 0.6473
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0738 0.2012
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0086 0.009
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0092 0.0227
Toxoplasma gondii thioredoxin reductase 0.0046 0.0725 0.0981
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0501 0.1981
Trypanosoma brucei trypanothione reductase 0.0046 0.0725 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Brugia malayi hypothetical protein 0.0024 0.0259 0.0641
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0492 0.1251
Plasmodium falciparum calcium-dependent protein kinase 1 0.0035 0.0492 0.0406
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0092 0.0227
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Mycobacterium ulcerans lipase LipD 0.0036 0.0519 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0738 0.2012
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0092 0.0011
Echinococcus granulosus General substrate transporter 0.0097 0.1827 0.5371
Plasmodium vivax calcium-dependent protein kinase, putative 0.0035 0.0492 0.0406
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0035 0.0492 0.0621
Brugia malayi Sugar transporter family protein 0.0016 0.0092 0.0227
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Leishmania major glucose transporter, lmgt2 0.0035 0.0501 0.6473
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.0291 0.3173
Schistosoma mansoni loxhd1 0.0024 0.0259 0.0624
Trypanosoma cruzi hexose transporter, putative 0.0016 0.0092 0.0036
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0035 0.0492 0.1214
Chlamydia trachomatis lysine--tRNA ligase 0.0025 0.0291 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Plasmodium falciparum calcium-dependent protein kinase 3 0.0035 0.0492 0.0406
Mycobacterium tuberculosis Probable reductase 0.0104 0.1972 0.4125
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0016 0.0092 0.0005
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0492 0.1251
Trypanosoma brucei glucose transporter, putative 0.0035 0.0501 0.6473
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0259 0.0536
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0519 0.0434
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0725 0.1393
Brugia malayi hypothetical protein 0.0087 0.1616 0.399
Echinococcus multilocularis calcium dependent protein kinase 0.0033 0.0446 0.111
Brugia malayi hypothetical protein 0.0024 0.0259 0.0641
Plasmodium falciparum thioredoxin reductase 0.0046 0.0725 0.0642
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0519 0.0942
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1972 0.4125
Echinococcus granulosus solute carrier family 22 0.0016 0.0092 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0092 0.0011
Schistosoma mansoni protein kinase 0.0035 0.0492 0.1458
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0501 0.1981
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Giardia lamblia Hexose transporter 0.0016 0.0092 0.0059
Mycobacterium leprae Probable lipase LipE 0.0036 0.0519 0.154
Echinococcus multilocularis solute carrier family 22 0.0016 0.0092 0.0018
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.2167 0.6417
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0501 0.1981
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Toxoplasma gondii sugar transporter ST2 0.0016 0.0092 0.0004
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1972 0.4125
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0519 0.1558
Loa Loa (eye worm) hypothetical protein 0.0036 0.0519 0.1175
Trypanosoma brucei glucose transporter, putative 0.0035 0.0501 0.6473
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.0291 0.0404
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0477 0.1405
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0501 0.6473
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0086 0.0212
Leishmania major glucose transporter, lmgt3 0.0035 0.0501 0.6473
Schistosoma mansoni rab6-interacting 0.0024 0.0259 0.0624
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0183 0.3654 0.5497
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0016 0.0092 0.0002
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0035 0.0492 0.0406
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.2167 0.6417
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Echinococcus granulosus solute carrier family 22 0.0016 0.0092 0.0018
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0016 0.0092 0.0021
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0035 0.0492 0.1105
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.2167 0.6417
Plasmodium falciparum proline--tRNA ligase 0.004 0.0597 0.0512
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0519 0.207
Toxoplasma gondii sugar transporter ST3 0.0016 0.0092 0.0004
Leishmania major protein kinase, putative 0.0035 0.0492 0.6324
Schistosoma mansoni sugar transporter 0.0016 0.0092 0.0021
Trypanosoma brucei sugar transporter, putative 0.0016 0.0092 0.0036
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0259 0.0536
Schistosoma mansoni glucose transport protein 0.0113 0.2167 0.7478
Loa Loa (eye worm) sugar transporter 0.0016 0.0092 0.0105
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0519 0.1337
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.0291 0.0633
Toxoplasma gondii transporter, major facilitator family protein 0.0016 0.0092 0.0004
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0519 0.207
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0725 0.169
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0501 0.1981
Leishmania major myo-inositol/proton symporter (MIT) 0.0016 0.0092 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0092 0.0011
Trichomonas vaginalis esterase, putative 0.0036 0.0519 0.207
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.0477 0.1205
Schistosoma mansoni glucose transport protein 0.0113 0.2167 0.7478
Echinococcus granulosus Sugar transporter ERD6 protein 0.0016 0.0092 0.0018
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0597 0.7977
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.009 0.2873
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0291 0.0738
Giardia lamblia Lysyl-tRNA synthetase 0.0025 0.0291 0.5211
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.2786 0.8327
Onchocerca volvulus 0.0036 0.0519 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0519 1
Plasmodium falciparum lysine--tRNA ligase 0.0025 0.0291 0.0204
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0519 0.0942
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0492 0.1251
Echinococcus granulosus solute carrier family 22 0.0016 0.0092 0.0018
Loa Loa (eye worm) hypothetical protein 0.0036 0.0519 0.1175
Brugia malayi Sugar transporter family protein 0.0113 0.2167 0.5351
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.0477 0.1327
Toxoplasma gondii ABC1 family protein 0.0036 0.0519 0.0663
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0501 0.6473
Schistosoma mansoni polycystin 1-related 0.0024 0.0259 0.0624
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0597 0.7977
Plasmodium falciparum glutathione reductase 0.0046 0.0725 0.0642
Mycobacterium ulcerans sugar transporter 0.0016 0.0092 0.1636
Schistosoma mansoni sugar transporter 0.0016 0.0092 0.0021
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0035 0.0492 0.1105
Echinococcus multilocularis solute carrier family 22 0.0016 0.0092 0.0018
Trichomonas vaginalis myo-inositol transporter, putative 0.0016 0.0092 0.0011
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0259 0.0536
Trichomonas vaginalis sugar transport protein, putative 0.0016 0.0092 0.0011
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0259 0.0172
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0035 0.0492 0.1251
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0725 1
Plasmodium falciparum protein kinase 7 0.032 0.6574 0.6543
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.0291 0.0633
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0259 0.0536
Trypanosoma brucei glucose transporter, putative 0.0035 0.0501 0.6473
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0519 0.0942
Loa Loa (eye worm) hypothetical protein 0.0034 0.0477 0.1068
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0492 0.1251
Trichomonas vaginalis glucose transporter, putative 0.0016 0.0092 0.0011
Loa Loa (eye worm) hypothetical protein 0.0202 0.4049 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0519 0.207
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0806 0.1992
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.021 0.0264
Toxoplasma gondii sugar transporter ST1 0.0016 0.0092 0.0004
Giardia lamblia Sugar-proton symporter 0.0016 0.0092 0.0059
Loa Loa (eye worm) beta-lactamase 0.0036 0.0519 0.1175
Loa Loa (eye worm) hypothetical protein 0.0087 0.1616 0.3916
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0725 0.0642
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.222 1
Leishmania major lysyl-tRNA synthetase, putative 0.0025 0.0291 0.3173
Plasmodium falciparum calcium-dependent protein kinase 4 0.0035 0.0492 0.0406
Loa Loa (eye worm) sugar transporter 0.0113 0.2167 0.5294
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0259 0.0536
Loa Loa (eye worm) hypothetical protein 0.0024 0.0259 0.0525
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0501 0.1981
Plasmodium falciparum calcium-dependent protein kinase 5 0.0035 0.0492 0.0406
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0492 0.1251
Echinococcus multilocularis solute carrier family 22 0.0016 0.0092 0.0018
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0519 0.1558
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.222 0.4667
Plasmodium vivax sugar transporter, putative 0.0016 0.0092 0.0002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0168 0.3328 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.222 0.4667
Toxoplasma gondii lysine-tRNA ligase 0.0025 0.0291 0.0311
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0016 0.0092 0.0005
Plasmodium vivax lysine--tRNA ligase, putative 0.0025 0.0291 0.0204
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0025 0.0291 0.3173
Brugia malayi Cam kinase protein 1 0.0035 0.0492 0.1214
Brugia malayi hypothetical protein 0.0016 0.0092 0.0227
Onchocerca volvulus 0.0036 0.0519 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0481 1 1
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0501 0.6473
Echinococcus multilocularis General substrate transporter 0.0097 0.1827 0.5371
Treponema pallidum NADH oxidase 0.0016 0.009 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.2167 0.6417
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Trypanosoma brucei glucose transporter, putative 0.0035 0.0501 0.6473
Leishmania major trypanothione reductase 0.0046 0.0725 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0519 0.154
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0501 0.1981
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.222 0.4667
Brugia malayi beta-lactamase family protein 0.0036 0.0519 0.1283
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0519 0.0942
Brugia malayi major facilitator superfamily protein 0.0016 0.0092 0.0227
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0035 0.0492 0.0621
Brugia malayi major facilitator superfamily protein 0.0016 0.0092 0.0227
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0519 0.0942
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0597 0.7977
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0501 0.1981
Brugia malayi Sugar transporter family protein 0.0016 0.0092 0.0227
Loa Loa (eye worm) hypothetical protein 0.0016 0.0086 0.009
Loa Loa (eye worm) hypothetical protein 0.0024 0.0259 0.0525
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0016 0.0092 0.0036
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0291 0.0738
Schistosoma mansoni sugar transporter 0.0016 0.0092 0.0021
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0035 0.0492 0.0621
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0291 0.5537
Echinococcus granulosus calcium dependent protein kinase 0.0033 0.0446 0.111
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.2167 0.6417
Loa Loa (eye worm) hypothetical protein 0.0034 0.0473 0.1058
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Brugia malayi hypothetical protein 0.0016 0.0092 0.0227
Toxoplasma gondii facilitative glucose transporter GT1 0.0113 0.2167 0.3203
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1972 0.4125
Mycobacterium tuberculosis Conserved protein 0.0036 0.0519 0.0942
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0168 0.3328 1
Trypanosoma brucei glucose transporter 2A 0.0035 0.0501 0.6473
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1972 0.4125
Trypanosoma cruzi hexose transporter, putative 0.0019 0.0162 0.1134
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.009 0.1591
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0259 0.0172
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0092 0.0105
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Echinococcus granulosus RUN 0.0024 0.0259 0.0536
Schistosoma mansoni rab6-interacting 0.0024 0.0259 0.0624
Loa Loa (eye worm) hypothetical protein 0.0035 0.0492 0.1105
Brugia malayi hypothetical protein 0.0016 0.0092 0.0227
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0519 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Brugia malayi Thioredoxin reductase 0.0046 0.0725 0.1791
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0016 0.0092 0.0018
Plasmodium falciparum mitogen-activated protein kinase 2 0.0183 0.3654 0.3597
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.2167 1
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0501 0.6473
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0519 0.6761
Echinococcus multilocularis solute carrier family 22 0.0016 0.0092 0.0018
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0519 0.0942
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0035 0.0492 0.6324
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.0477 0.9253
Trypanosoma cruzi hexose transporter 0.0035 0.0501 0.6473
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.0477 0.1177
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0806 0.1892
Schistosoma mansoni protein kinase 0.0035 0.0492 0.1458
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0291 0.5537
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Trypanosoma cruzi glucose transporter, putative 0.0016 0.0092 0.0036
Plasmodium falciparum hexose transporter 0.0113 0.2167 0.2096
Toxoplasma gondii protein kinase, putative 0.032 0.6574 1
Trypanosoma cruzi sugar transporter, putative 0.0016 0.0092 0.0036
Schistosoma mansoni glucose transport protein 0.0113 0.2167 0.7478
Loa Loa (eye worm) hypothetical protein 0.0087 0.1616 0.3916
Loa Loa (eye worm) hypothetical protein 0.0036 0.0519 0.1175
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.021 0.0264
Loa Loa (eye worm) hypothetical protein 0.0036 0.0519 0.1175
Trypanosoma brucei glucose transporter, putative 0.0035 0.0501 0.6473
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2823 0.6935
Plasmodium vivax proline--tRNA ligase, putative 0.004 0.0597 0.0512
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0492 0.1458
Brugia malayi lysyl-tRNA synthetase 0.0025 0.0291 0.0719
Plasmodium falciparum calcium-dependent protein kinase 2 0.0035 0.0492 0.0406
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0519 0.6761
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0519 0.1175
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Mycobacterium tuberculosis Conserved protein 0.0036 0.0519 0.0942
Echinococcus granulosus solute carrier family 22 0.0016 0.0092 0.0018
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0035 0.0492 0.0406
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0501 0.6473
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0519 0.6761
Brugia malayi MH2 domain containing protein 0.0144 0.2823 0.6973
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0183 0.3654 0.3597
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.0597 0.7977
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0519 1
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0016 0.0092 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0291 0.0971
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.0477 0.1205
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.0477 0.1177
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Mycobacterium ulcerans beta-lactamase 0.0036 0.0519 1
Brugia malayi beta-lactamase 0.0036 0.0519 0.1283
Schistosoma mansoni lipoxygenase 0.01 0.1873 0.6423
Schistosoma mansoni hypothetical protein 0.0034 0.0473 0.1391
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.004 0.0597 0.0782
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0202 0.4049 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0086 0.0212
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0105
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Loa Loa (eye worm) hypothetical protein 0.0036 0.0519 0.1175
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0477 0.1405
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0092 0.0011
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.009 0.1591
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1972 0.8767
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0016 0.0092 0.1636
Entamoeba histolytica protein kinase, putative 0.0035 0.0492 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2079 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) = 0.7943 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) 1.122 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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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