Detailed information for compound 1058656

Basic information

Technical information
  • TDR Targets ID: 1058656
  • Name: N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl ]methyl]-2-methylpyrazole-3-carboxamide
  • MW: 378.4 | Formula: C21H19FN4O2
  • H donors: 1 H acceptors: 3 LogP: 2.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)N1CCc2c1ccc(c2)CNC(=O)c1ccnn1C
  • InChi: 1S/C21H19FN4O2/c1-25-19(8-10-24-25)20(27)23-13-14-2-7-18-16(12-14)9-11-26(18)21(28)15-3-5-17(22)6-4-15/h2-8,10,12H,9,11,13H2,1H3,(H,23,27)
  • InChiKey: USHQXVKRJFBGSK-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • N-[[1-(4-fluorobenzoyl)indolin-5-yl]methyl]-2-methyl-pyrazole-3-carboxamide
  • N-[[1-[(4-fluorophenyl)-oxomethyl]-5-indolinyl]methyl]-2-methyl-3-pyrazolecarboxamide
  • N-[[1-(4-fluorophenyl)carbonyl-2,3-dihydroindol-5-yl]methyl]-2-methyl-pyrazole-3-carboxamide
  • G883-0859
  • NCGC00137739-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
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
Trichomonas vaginalis 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
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
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
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis expressed protein 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
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 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
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni rotamase 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
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.22 0.2368
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0652 0.1014
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0035 0.0545 0.0414
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0543 0.0812
Brugia malayi Sugar transporter family protein 0.0016 0.0136 0.0231
Loa Loa (eye worm) hypothetical protein 0.0029 0.0406 0.0848
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0108 0.0722
Chlamydia trachomatis lysine--tRNA ligase 0.0025 0.0335 1
Echinococcus multilocularis cpg binding protein 0.0033 0.0496 0.051
Echinococcus granulosus expressed protein 0.004 0.0652 0.068
Loa Loa (eye worm) hypothetical protein 0.0056 0.099 0.2069
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0035 0.0545 0.0767
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1334 0.1411
Trichomonas vaginalis rotamase, putative 0.0039 0.0632 0.0977
Onchocerca volvulus 0.0016 0.0136 0.0053
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0012 0.0058 0.0024
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0016 0.0136 0.0117
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0629 0.6201
Loa Loa (eye worm) hypothetical protein 0.0019 0.0202 0.0422
Plasmodium vivax lysine--tRNA ligase, putative 0.0025 0.0335 0.0201
Loa Loa (eye worm) hypothetical protein 0.0034 0.0526 0.11
Toxoplasma gondii facilitative glucose transporter GT1 0.0113 0.22 0.3293
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0025 0.0335 0.3223
Plasmodium falciparum calcium-dependent protein kinase 1 0.0035 0.0545 0.0414
Echinococcus granulosus cpg binding protein 0.0033 0.0496 0.051
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0058 0.0172
Loa Loa (eye worm) TAR-binding protein 0.0073 0.1334 0.2788
Schistosoma mansoni protein kinase 0.0035 0.0545 0.0548
Schistosoma mansoni hypothetical protein 0.0019 0.0202 0.0174
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0244 0.051
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Toxoplasma gondii lysine-tRNA ligase 0.0025 0.0335 0.0446
Entamoeba histolytica protein kinase, putative 0.0035 0.0545 0.5193
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.0335 0.6129
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0406 0.4008
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0629 0.0972
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0406 0.0273
Echinococcus granulosus tar DNA binding protein 0.0073 0.1334 0.1424
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0406 0.4008
Schistosoma mansoni protein kinase 0.0035 0.0545 0.0548
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0545 0.0562
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.0632 0.6233
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.0519 0.4889
Giardia lamblia Kinase, CMGC GSK 0.0054 0.0949 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.0543 0.5527
Trypanosoma brucei glucose transporter, putative 0.0035 0.0543 0.5527
Onchocerca volvulus 0.0016 0.0136 0.0053
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0335 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.3542 0.3832
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.22 0.2368
Schistosoma mansoni rotamase 0.004 0.0652 0.0666
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0202 0.0422
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1334 0.1411
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0545 0.0562
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1334 0.1411
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0629 0.1267
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0652 0.1363
Toxoplasma gondii sugar transporter ST2 0.0016 0.0136 0.0143
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Brugia malayi hypothetical protein 0.0041 0.0658 0.1328
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0543 0.0812
Echinococcus granulosus solute carrier family 22 0.0016 0.0136 0.0117
Leishmania major cytochrome p450-like protein 0.0021 0.0244 0.2222
Plasmodium vivax proline--tRNA ligase, putative 0.004 0.0638 0.0509
Schistosoma mansoni hypothetical protein 0.0013 0.0071 0.0031
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0136 0.0231
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0629 0.6201
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0629 0.0972
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Echinococcus granulosus GPCR family 2 0.0019 0.0202 0.0188
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0136 0.0053
Brugia malayi hypothetical protein 0.0016 0.0136 0.0231
Schistosoma mansoni alpha glucosidase 0.0039 0.0629 0.0641
Loa Loa (eye worm) hypothetical protein 0.0041 0.0669 0.1399
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0526 0.0528
Leishmania major hypothetical protein, conserved 0.0029 0.0406 0.4008
Onchocerca volvulus 0.0016 0.0136 0.0053
Brugia malayi major facilitator superfamily protein 0.0016 0.0136 0.0231
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0543 0.5527
Brugia malayi hypothetical protein 0.0029 0.0406 0.0797
Trypanosoma brucei sugar transporter, putative 0.0016 0.0136 0.1034
Loa Loa (eye worm) hypothetical protein 0.006 0.1072 0.2241
Trypanosoma brucei glucose transporter, putative 0.0035 0.0543 0.5527
Brugia malayi Sugar transporter family protein 0.0113 0.22 0.4567
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0406 0.0554
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0545 0.0548
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0526 0.0528
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0335 0.0422
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0658 0.0672
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Entamoeba histolytica hypothetical protein 0.0041 0.0658 0.6544
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0202 0.0368
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0629 0.0972
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0526 0.0542
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0543 0.5527
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0543 0.0812
Trichomonas vaginalis CAMK family protein kinase 0.0035 0.0545 0.0814
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0012 0.0058 0.0172
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0136 0.0231
Plasmodium falciparum glycogen synthase kinase 3 0.0054 0.0949 0.0824
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0054 0.0949 0.1003
Plasmodium falciparum mitogen-activated protein kinase 2 0.0184 0.3689 0.3602
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0526 0.0528
Trypanosoma brucei glucose transporter, putative 0.0035 0.0543 0.5527
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0136 0.0053
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0202 0.0188
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0406 0.0273
Echinococcus granulosus solute carrier family 22 0.0016 0.0136 0.0117
Echinococcus granulosus geminin 0.0191 0.3847 0.4164
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.004 0.0638 0.091
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.1224 0.1291
Onchocerca volvulus 0.0016 0.0136 0.0053
Onchocerca volvulus 0.0016 0.0136 0.0053
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.0335 0.3223
Leishmania major protein kinase, putative 0.0035 0.0545 0.554
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.0108 0.0171
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.0519 0.1035
Plasmodium falciparum lysine--tRNA ligase 0.0025 0.0335 0.0201
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0629 0.6476
Schistosoma mansoni glucose transporter 0.0016 0.0136 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.22 0.39
Trypanosoma cruzi hexose transporter, putative 0.0016 0.0136 0.1034
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.0335 0.0333
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0016 0.0136 0.3208
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Schistosoma mansoni glucose transport protein 0.0113 0.22 0.2357
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0035 0.0545 0.1138
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.0335 0.0333
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1072 0.2241
Loa Loa (eye worm) sugar transporter 0.0113 0.22 0.4597
Trypanosoma cruzi hexose transporter, putative 0.0019 0.0206 0.18
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.3542 0.3832
Trichomonas vaginalis set domain proteins, putative 0.0268 0.5472 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0035 0.0545 0.1138
Echinococcus multilocularis solute carrier family 22 0.0016 0.0136 0.0117
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0035 0.0545 0.0414
Brugia malayi RNA binding protein 0.0073 0.1334 0.2748
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Onchocerca volvulus 0.0016 0.0136 0.0053
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.22 0.2368
Toxoplasma gondii protein kinase, putative 0.0321 0.6593 1
Echinococcus multilocularis dnaJ subfamily B 0.0444 0.9196 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0029 0.0061
Plasmodium falciparum hexose transporter 0.0113 0.22 0.2092
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0054 0.0949 0.1983
Echinococcus multilocularis geminin 0.0191 0.3847 0.4164
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1072 0.2198
Brugia malayi hypothetical protein 0.0016 0.0136 0.0231
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0058 0.0172
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.0519 1
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0543 0.5527
Toxoplasma gondii sugar transporter ST3 0.0016 0.0136 0.0143
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0054 0.0949 0.099
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.0244 0.6893
Echinococcus multilocularis expressed protein 0.004 0.0652 0.068
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0545 0.0562
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.0519 0.0766
Echinococcus granulosus calcium dependent protein kinase 0.0033 0.0488 0.0501
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.0632 0.6505
Schistosoma mansoni hypothetical protein 0.0191 0.3847 0.4156
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0629 0.0972
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.1075 0.1576
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.0519 0.1035
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0035 0.0545 0.1089
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Schistosoma mansoni hypothetical protein 0.0041 0.0669 0.0685
Schistosoma mansoni sugar transporter 0.0016 0.0136 0.0102
Loa Loa (eye worm) RNA binding protein 0.0073 0.1334 0.2788
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0545 0.0562
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0406 0.0273
Echinococcus granulosus synaptic vesicle 2 protein 0.0016 0.0136 0.0117
Loa Loa (eye worm) sugar transporter 0.0016 0.0136 0.0285
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0202 0.0188
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0244 0.2222
Echinococcus granulosus lysosomal alpha glucosidase 0.0177 0.3542 0.3832
Brugia malayi Sugar transporter family protein 0.0016 0.0136 0.0231
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0184 0.3689 0.5567
Echinococcus multilocularis General substrate transporter 0.0098 0.1862 0.2
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0543 0.5527
Trichomonas vaginalis rotamase, putative 0.004 0.0652 0.1014
Onchocerca volvulus 0.0016 0.0136 0.0053
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0629 0.0972
Plasmodium falciparum proline--tRNA ligase 0.004 0.0638 0.0509
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0481 0.1005
Toxoplasma gondii sugar transporter ST1 0.0016 0.0136 0.0143
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0335 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0035 0.0545 0.0562
Trypanosoma cruzi glucose transporter, putative 0.0016 0.0136 0.1034
Trichomonas vaginalis myo-inositol transporter, putative 0.0016 0.0136 0.0053
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0459 0.0958
Plasmodium falciparum calcium-dependent protein kinase 3 0.0035 0.0545 0.0414
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0136 0.0231
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0022 0.0254 1
Onchocerca volvulus 0.0016 0.0136 0.0053
Mycobacterium ulcerans sugar transporter 0.0016 0.0136 0.3208
Entamoeba histolytica hypothetical protein 0.0041 0.0658 0.6544
Plasmodium falciparum protein kinase 7 0.0321 0.6593 0.6546
Schistosoma mansoni hypothetical protein 0.0113 0.22 0.2357
Loa Loa (eye worm) hypothetical protein 0.0028 0.0384 0.0802
Schistosoma mansoni hypothetical protein 0.0041 0.0658 0.0672
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0638 0.6576
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0658 0.0686
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.1334 0.2748
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.22 0.2368
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.0638 0.6576
Brugia malayi cytochrome P450 0.0012 0.0043 0.0034
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0658 0.0686
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0054 0.0949 1
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0014 0.0094 0.0197
Onchocerca volvulus 0.0016 0.0136 0.0053
Brugia malayi Cytochrome P450 family protein 0.0021 0.0244 0.0457
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0526 0.0542
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.22 0.2368
Onchocerca volvulus 0.0016 0.0136 0.0053
Schistosoma mansoni cpg binding protein 0.0033 0.0496 0.0495
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.0543 0.5527
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0629 0.0896
Echinococcus multilocularis solute carrier family 22 0.0016 0.0136 0.0117
Leishmania major glycosyl hydrolase-like protein 0.0015 0.0108 0.0722
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0136 0.0285
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.099 0.1035
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.3542 0.7388
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Onchocerca volvulus 0.0054 0.0949 0.1567
Leishmania major myo-inositol/proton symporter (MIT) 0.0016 0.0136 0.1034
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0054 0.0949 0.1003
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Plasmodium vivax calcium-dependent protein kinase, putative 0.0035 0.0545 0.0414
Schistosoma mansoni alpha-glucosidase 0.0152 0.3021 0.3253
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.1334 0.2788
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0035 0.0545 0.554
Plasmodium vivax CDK-related protein kinase 6, putative 0.0482 1 1
Brugia malayi MH2 domain containing protein 0.0137 0.2693 0.5603
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0035 0.0545 0.0414
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0526 0.0528
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Loa Loa (eye worm) hypothetical protein 0.0034 0.0519 0.1085
Schistosoma mansoni cpg binding protein 0.0033 0.0496 0.0495
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.4785 1
Brugia malayi Cytochrome P450 family protein 0.0021 0.0244 0.0457
Entamoeba histolytica hypothetical protein 0.0041 0.0658 0.6544
Loa Loa (eye worm) cytochrome P450 0.0012 0.0043 0.0089
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0629 0.0655
Echinococcus granulosus Sugar transporter ERD6 protein 0.0016 0.0136 0.0117
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0543 0.0812
Leishmania major lysyl-tRNA synthetase, putative 0.0025 0.0335 0.3223
Schistosoma mansoni cpg binding protein 0.0031 0.0459 0.0454
Brugia malayi Cytochrome P450 family protein 0.0032 0.0481 0.0955
Onchocerca volvulus 0.0016 0.0136 0.0053
Brugia malayi Cytochrome P450 family protein 0.0012 0.0043 0.0034
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0335 0.0319
Brugia malayi Pre-SET motif family protein 0.0236 0.4785 1
Schistosoma mansoni sugar transporter 0.0016 0.0136 0.0102
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Treponema pallidum prolyl-tRNA synthetase 0.0012 0.0053 0.5
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.0632 0.09
Echinococcus multilocularis tumor protein p63 0.0385 0.7936 0.8626
Brugia malayi Pre-SET motif family protein 0.0034 0.0526 0.105
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0012 0.0053 0.036
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0035 0.0545 0.0767
Loa Loa (eye worm) hypothetical protein 0.0015 0.0108 0.0226
Onchocerca volvulus 0.0016 0.0136 0.0053
Trypanosoma brucei glucose transporter, putative 0.0035 0.0543 0.5527
Trypanosoma cruzi hexose transporter 0.0035 0.0543 0.5527
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0526 0.0738
Leishmania major hypothetical protein, conserved 0.0016 0.0136 0.1034
Echinococcus multilocularis solute carrier family 22 0.0016 0.0136 0.0117
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0519 0.052
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Echinococcus multilocularis calcium dependent protein kinase 0.0033 0.0488 0.0501
Schistosoma mansoni hypothetical protein 0.0191 0.3847 0.4156
Brugia malayi major facilitator superfamily protein 0.0016 0.0136 0.0231
Leishmania major glucose transporter, lmgt2 0.0035 0.0543 0.5527
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Brugia malayi TAR-binding protein 0.0073 0.1334 0.2748
Onchocerca volvulus 0.0031 0.0459 0.0653
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0022 0.0254 0.4434
Brugia malayi intracellular kinase 0.0054 0.0949 0.1938
Entamoeba histolytica protein kinase domain containing protein 0.0054 0.0949 1
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0016 0.0136 0.3208
Brugia malayi hypothetical protein 0.0019 0.0191 0.0345
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0054 0.0949 0.1983
Echinococcus multilocularis GPCR, family 2 0.0019 0.0202 0.0188
Trypanosoma brucei glucose transporter 1E 0.0035 0.0543 0.5527
Toxoplasma gondii transporter, major facilitator family protein 0.0016 0.0136 0.0143
Plasmodium falciparum calcium-dependent protein kinase 2 0.0035 0.0545 0.0414
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0202 0.0368
Entamoeba histolytica protein kinase, putative 0.0054 0.0949 1
Echinococcus granulosus protein kinase shaggy 0.0054 0.0949 0.1003
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0638 0.6576
Onchocerca volvulus 0.0034 0.0526 0.078
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0669 0.1351
Trypanosoma brucei glucosidase, putative 0.0039 0.0629 0.6476
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.2693 0.5627
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0108 0.0722
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Trichomonas vaginalis glucose transporter, putative 0.0016 0.0136 0.0053
Echinococcus multilocularis protein kinase shaggy 0.0054 0.0949 0.1003
Schistosoma mansoni protein kinase 0.0035 0.0545 0.0548
Loa Loa (eye worm) hypothetical protein 0.0034 0.0519 0.1085
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.2693 0.5627
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0244 0.051
Giardia lamblia Lysyl-tRNA synthetase 0.0025 0.0335 0.2442
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0486 0.0498
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0949 0.1567
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0543 0.5527
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0058 0.0172
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0545 0.0562
Echinococcus multilocularis 0.0012 0.0043 0.0015
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0016 0.0136 0.0102
Onchocerca volvulus 0.0016 0.0136 0.0053
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0629 0.6476
Echinococcus granulosus solute carrier family 22 0.0016 0.0136 0.0117
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0071 0.0046
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0652 0.1315
Loa Loa (eye worm) hypothetical protein 0.0035 0.0545 0.1138
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0016 0.0136 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.0519 0.0534
Onchocerca volvulus 0.0016 0.0136 0.0053
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0543 0.0812
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0244 0.2222
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0136 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1334 0.1411
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0632 0.6505
Plasmodium falciparum calcium-dependent protein kinase 5 0.0035 0.0545 0.0414
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1334 0.1411
Onchocerca volvulus 0.0102 0.1964 0.346
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0545 0.0562
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0202 0.0188
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0526 0.0542
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0543 0.0812
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0035 0.0545 0.0767
Brugia malayi hypothetical protein 0.0016 0.0136 0.0231
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1072 0.2198
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0629 0.0972
Trypanosoma brucei protein kinase, putative 0.0054 0.0949 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.0638 0.6576
Schistosoma mansoni hypothetical protein 0.0019 0.0202 0.0174
Schistosoma mansoni sugar transporter 0.0016 0.0136 0.0102
Plasmodium falciparum calcium-dependent protein kinase 4 0.0035 0.0545 0.0414
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.3542 0.7402
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0632 0.6505
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Plasmodium vivax SET domain protein, putative 0.0034 0.0526 0.0395
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Schistosoma mansoni hypothetical protein 0.0019 0.0202 0.0174
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Leishmania major glucose transporter, lmgt1 0.0035 0.0543 0.5527
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0629 0.0972
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0629 0.1315
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0543 0.0812
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0136 0.0053
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0136 0.0285
Schistosoma mansoni hypothetical protein 0.0019 0.0202 0.0174
Schistosoma mansoni alpha-glucosidase 0.0152 0.3021 0.3253
Trypanosoma brucei glucose transporter, putative 0.0035 0.0543 0.5527
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Trypanosoma brucei glucose transporter 2A 0.0035 0.0543 0.5527
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0545 0.0562
Onchocerca volvulus 0.0268 0.5472 1
Entamoeba histolytica hypothetical protein 0.0041 0.0658 0.6544
Schistosoma mansoni glucose transport protein 0.0113 0.22 0.2357
Onchocerca volvulus 0.0056 0.099 0.1644
Echinococcus granulosus tumor protein p63 0.0385 0.7936 0.8626
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0202 0.0188
Trypanosoma brucei glucose transporter, putative 0.0035 0.0543 0.5527
Entamoeba histolytica hypothetical protein 0.0025 0.0335 0.2696
Trypanosoma cruzi sugar transporter, putative 0.0016 0.0136 0.1034
Giardia lamblia Kinase, CMGC GSK 0.0054 0.0949 1
Echinococcus granulosus dnaJ subfamily B 0.0444 0.9196 1
Onchocerca volvulus 0.0016 0.0136 0.0053
Echinococcus granulosus cytochrome P450 2K1 0.0012 0.0043 0.0015
Plasmodium vivax hexose transporter 0.0113 0.22 0.2092
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0071 0.0046
Brugia malayi Cam kinase protein 1 0.0035 0.0545 0.1089
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.0632 0.6505
Brugia malayi CXXC zinc finger family protein 0.0031 0.0459 0.0908
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0543 0.5527
Loa Loa (eye worm) hypothetical protein 0.0025 0.0335 0.0699
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0136 0.0053
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0054 0.0949 0.1383
Echinococcus multilocularis synaptic vesicle 2 protein 0.0016 0.0136 0.0117
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0016 0.0136 0.4435
Onchocerca volvulus 0.0016 0.0136 0.0053
Schistosoma mansoni hypothetical protein 0.0444 0.9196 1
Echinococcus multilocularis solute carrier family 22 0.0016 0.0136 0.0117
Echinococcus granulosus General substrate transporter 0.0098 0.1862 0.2
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0054 0.0949 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.22 0.2368
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.0519 0.4712
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0406 0.4008
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0629 0.6476
Entamoeba histolytica protein kinase, putative 0.0035 0.0545 0.5193
Plasmodium vivax glycogen synthase kinase 3, putative 0.0054 0.0949 0.0824
Schistosoma mansoni sugar transporter 0.0016 0.0136 0.0102
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0022 0.0254 1
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0016 0.0136 0.1034
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.0108 0.0722
Brugia malayi lysyl-tRNA synthetase 0.0025 0.0335 0.0648
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0949 0.1567
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.0519 0.0534
Trichomonas vaginalis sugar transport protein, putative 0.0016 0.0136 0.0053
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0269 0.0299
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0184 0.3689 0.3602
Mycobacterium ulcerans integral membrane transport protein 0.0016 0.0136 0.3208
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0629 0.0972
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0113 0.22 0.2368
Echinococcus multilocularis tar DNA binding protein 0.0073 0.1334 0.1424
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0629 0.0972
Schistosoma mansoni glucose transport protein 0.0113 0.22 0.2357
Trypanosoma brucei cytochrome P450, putative 0.0021 0.0244 0.2222
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0629 0.0655
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0638 0.6576
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0285
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0016 0.0136 0.4435
Echinococcus granulosus solute carrier family 22 0.0016 0.0136 0.0117
Onchocerca volvulus Putative transporter 0.0016 0.0136 0.0053
Entamoeba histolytica protein kinase domain containing protein 0.0054 0.0949 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.22 0.2368
Loa Loa (eye worm) CYP4Cod1 0.0021 0.0244 0.051
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0335 0.0319
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0519 0.052
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Leishmania major glucose transporter, lmgt3 0.0035 0.0543 0.5527
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0136 0.0053
Trypanosoma brucei glucose transporter, putative 0.0035 0.0543 0.5527

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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