Detailed information for compound 179404

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 669.767 | Formula: C37H43N5O7
  • H donors: 4 H acceptors: 6 LogP: 3.95 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCC(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N(Cc1ccccc1)C)Cc1ccccc1)Cc1cn(c2c1cccc2)C=O)NC(=O)OC(C)(C)C
  • InChi: 1S/C37H43N5O7/c1-37(2,3)49-36(48)40-31(23-43)34(46)38-29(20-27-22-42(24-44)32-18-12-11-17-28(27)32)33(45)39-30(19-25-13-7-5-8-14-25)35(47)41(4)21-26-15-9-6-10-16-26/h5-18,22,24,29-31,43H,19-21,23H2,1-4H3,(H,38,46)(H,39,45)(H,40,48)/t29-,30+,31?/m1/s1
  • InChiKey: UVVWRPAAOYSGTI-AWZUCMKVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi heat shock protein, putative 0.0029 0.0815 0.2238
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0592 0.0818
Loa Loa (eye worm) hypothetical protein 0.0029 0.0829 0.0802
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0935 0.2303
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0015 0.0216 0.0534
Schistosoma mansoni hypothetical protein 0.016 0.6733 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase BAP1 0.0029 0.0829 0.1231
Schistosoma mansoni endoplasmin 0.0043 0.147 0.2183
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0216 0.0534
Trichomonas vaginalis Clan CA, family C12, ubiquitin hydrolase-like cysteine peptidase 0.0029 0.0829 0.2022
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.1466 0.2178
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.3541 0.9201
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.019 0.0283
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0036 0.1162 0.2905
Leishmania major trypanothione reductase 0.0045 0.1532 0.428
Loa Loa (eye worm) heat shock protein 90 0.0043 0.147 0.1445
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0592 0.0818
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.3541 0.9201
Brugia malayi MH2 domain containing protein 0.0113 0.4602 0.4586
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.3541 0.9201
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0034 0.105 0.156
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0652 0.1775
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0191 0.0236
Trypanosoma cruzi heat shock protein 85, putative 0.0043 0.147 0.4103
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0015 0.0216 0.0273
Trypanosoma brucei DNA polymerase eta, putative 0.0061 0.2247 0.6316
Echinococcus granulosus endoplasmin 0.0041 0.135 0.2005
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0029 0.0829 0.2278
Schistosoma mansoni hypothetical protein 0.0015 0.019 0.0283
Brugia malayi glucose-6-phosphate dehydrogenase 0.0088 0.3489 0.347
Schistosoma mansoni heat shock protein 0.0029 0.0815 0.121
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0541 0.126
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase isozyme 0.0077 0.3002 0.4459
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0045 0.1532 0.3025
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0096 0.3842 0.554
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0191 0.0463
Giardia lamblia DINP protein human, muc B family 0.0036 0.1162 0.2972
Schistosoma mansoni hypothetical protein 0.016 0.6733 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0047 0.1641 0.1617
Schistosoma mansoni hypothetical protein 0.0032 0.097 0.144
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0216 0.0534
Plasmodium vivax ubiquitin C-terminal hydrolase, family 1, putative 0.0077 0.3002 0.4319
Trypanosoma cruzi trypanothione reductase, putative 0.0015 0.0216 0.0534
Trypanosoma cruzi heat shock protein 90, putative 0.0037 0.1188 0.33
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase isozyme 0.0077 0.3002 0.4459
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0096 0.3842 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0216 0.0321
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0102 0.4111 0.8844
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0077 0.3002 0.8467
Echinococcus multilocularis heat shock protein 90 0.0037 0.1188 0.1764
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0191 0.0284
Loa Loa (eye worm) hypothetical protein 0.0015 0.019 0.0162
Echinococcus multilocularis geminin 0.016 0.6733 1
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0417 0.0564
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0191 0.0236
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0089 0.3541 1
Trypanosoma brucei unspecified product 0.0025 0.0652 0.1775
Plasmodium falciparum endoplasmin, putative 0.0031 0.0935 0.1316
Loa Loa (eye worm) thioredoxin reductase 0.0045 0.1532 0.1508
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Trypanosoma brucei unspecified product 0.0025 0.0652 0.1775
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0088 0.3489 0.5182
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0029 0.0829 0.2278
Echinococcus multilocularis thioredoxin glutathione reductase 0.0045 0.1532 0.2275
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.1188 0.33
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0029 0.0815 0.2158
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0041 0.135 0.3762
Trypanosoma cruzi trypanothione reductase, putative 0.0045 0.1532 0.428
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0088 0.3489 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.019 0.0162
Brugia malayi ImpB/MucB/SamB family protein 0.0036 0.1162 0.1137
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0216 0.0534
Trypanosoma brucei heat shock protein 90, putative 0.0043 0.147 0.4103
Plasmodium falciparum heat shock protein 90, putative 0.0025 0.0653 0.0907
Brugia malayi Calcitonin receptor-like protein seb-1 0.0047 0.1641 0.1617
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0096 0.3842 1
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase, putative 0.0077 0.3002 0.8451
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0029 0.0829 0.2278
Loa Loa (eye worm) hypothetical protein 0.0061 0.2247 0.2224
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0191 0.0236
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0113 0.4624 1
Echinococcus multilocularis heat shock protein 90 0.0043 0.147 0.2183
Loa Loa (eye worm) heat shock protein 75 0.0029 0.0815 0.0788
Schistosoma mansoni DNA polymerase IV / kappa 0.0011 0.0029 0.0043
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0089 0.3541 0.5258
Plasmodium falciparum heat shock protein 90 0.0043 0.147 0.2093
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0015 0.0216 0.0542
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.1162 0.3227
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase isozyme 0.0029 0.0829 0.1231
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0191 0.0284
Loa Loa (eye worm) endoplasmin 0.0043 0.147 0.1445
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0541 0.0514
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.1113 0.1576
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0216 0.0321
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.019 0.0283
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0088 0.3489 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.1466 0.1442
Entamoeba histolytica hypothetical protein 0.0034 0.105 0.2836
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0326 0.0484
Brugia malayi Ubiquitin carboxyl-terminal hydrolase, family 1 protein 0.0029 0.0829 0.0802
Schistosoma mansoni family C12 unassigned peptidase (C12 family) 0.0029 0.0829 0.1231
Loa Loa (eye worm) hypothetical protein 0.0233 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.1466 0.2178
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0592 0.1604
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0031 0.0896 0.159
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.1466 0.2178
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0015 0.0216 0.0542
Echinococcus granulosus dna polymerase kappa 0.0036 0.1162 0.1726
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0102 0.4111 0.8435
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0191 0.0284
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0191 0.0463
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0652 0.1775
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0653 0.1557
Trypanosoma cruzi polo-like protein kinase, putative 0.0089 0.3541 1
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0058 0.2112 0.3026
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0015 0.0216 0.0273
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0036 0.1162 0.1726
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.1113 0.3088
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Brugia malayi Thioredoxin reductase 0.0045 0.1532 0.1508
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0015 0.0216 0.0273
Brugia malayi Endoplasmin precursor 0.0043 0.147 0.1445
Trypanosoma cruzi polo-like protein kinase, putative 0.0089 0.3541 1
Echinococcus granulosus heat shock protein 90 0.0037 0.1188 0.1764
Brugia malayi hypothetical protein 0.0024 0.0592 0.0565
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0015 0.0216 0.0534
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0096 0.3842 0.554
Brugia malayi heat shock protein 90 0.0043 0.147 0.1445
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0088 0.3489 0.5182
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Leishmania major DNA polymerase eta, putative 0.0035 0.1113 0.3088
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0015 0.0216 0.0534
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.019 0.0162
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0191 0.0163
Brugia malayi glutathione reductase 0.0045 0.1532 0.1508
Mycobacterium tuberculosis Probable reductase 0.0102 0.4111 0.8844
Trypanosoma cruzi heat shock protein 85, putative 0.0043 0.147 0.4103
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0034 0.105 0.156
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0041 0.135 1
Schistosoma mansoni ubiquitinyl hydrolase-BAP1 (C12 family) 0.0029 0.0829 0.1231
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0088 0.3489 0.9853
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Echinococcus multilocularis dna polymerase eta 0.0061 0.2247 0.3337
Trichomonas vaginalis heat shock protein, putative 0.0043 0.147 0.3719
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase isozyme 0.0029 0.0829 0.1231
Schistosoma mansoni family C12 unassigned peptidase (C12 family) 0.0029 0.0829 0.1231
Brugia malayi ubiquitin C-terminal hydrolase UCH-L5 0.0077 0.3002 0.2982
Plasmodium falciparum glutathione reductase 0.0015 0.0216 0.0273
Echinococcus granulosus dna polymerase eta 0.0061 0.2247 0.3337
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase, family 1 protein 0.0077 0.3002 0.4319
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0041 0.135 0.2614
Loa Loa (eye worm) MH2 domain-containing protein 0.0113 0.4602 0.4586
Schistosoma mansoni hypothetical protein 0.0015 0.019 0.0283
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0065 0.0102
Trypanosoma brucei heat shock protein, putative 0.0043 0.147 0.4103
Loa Loa (eye worm) hypothetical protein 0.0024 0.0592 0.0565
Leishmania major DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.019 0.0283
Plasmodium vivax heat shock protein 90, putative 0.0029 0.0815 0.1142
Schistosoma mansoni family C12 unassigned peptidase (C12 family) 0.0029 0.0829 0.1231
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0541 0.0803
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0096 0.3842 0.554
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0191 0.0463
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0216 0.0534
Schistosoma mansoni kinase 0.0045 0.1563 0.2321
Loa Loa (eye worm) ubiquitin C-terminal hydrolase UCH-L5 0.0077 0.3002 0.2982
Plasmodium falciparum deubiquinating/deneddylating enzyme 0.0077 0.3002 0.4319
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0089 0.3541 0.3522
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0216 0.0534
Mycobacterium tuberculosis Probable oxidoreductase 0.0113 0.4624 1
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.3541 0.5258
Plasmodium vivax heat shock protein 86, putative 0.0043 0.147 0.2093
Schistosoma mansoni terminal deoxycytidyl transferase 0.0036 0.1162 0.1726
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.1466 0.1442
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0015 0.021 0.0263
Schistosoma mansoni hypothetical protein 0.0015 0.019 0.0283
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.097 0.0944
Giardia lamblia NADH oxidase lateral transfer candidate 0.0015 0.0216 0.0492
Loa Loa (eye worm) RecQ helicase 0.0023 0.0541 0.0514
Entamoeba histolytica hypothetical protein 0.0034 0.105 0.2836
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0191 0.0284
Entamoeba histolytica hypothetical protein 0.0029 0.0829 0.2198
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0015 0.0216 0.0273
Echinococcus multilocularis endoplasmin 0.0041 0.135 0.2005
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0592 0.0818
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0202 0.0251
Schistosoma mansoni transcription factor LCR-F1 0.0034 0.105 0.156
Echinococcus granulosus bloom syndrome protein 0.0023 0.0541 0.0803
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.3541 0.9201
Leishmania major hypothetical protein, conserved 0.0024 0.0592 0.1604
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0088 0.3489 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.1466 0.2178
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0015 0.0216 0.0534
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Brugia malayi ImpB/MucB/SamB family protein 0.0061 0.2247 0.2224
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0058 0.2112 0.602
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0191 0.0284
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.1162 0.3227
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0036 0.1162 0.1726
Giardia lamblia Heat shock protein HSP 90-alpha 0.0037 0.1188 0.3039
Trichomonas vaginalis endoplasmin, putative 0.0031 0.0935 0.2303
Trypanosoma brucei heat shock protein 90, putative 0.0043 0.147 0.4103
Entamoeba histolytica serine/threonine protein kinase, putative 0.0089 0.3541 1
Loa Loa (eye worm) glutathione reductase 0.0045 0.1532 0.1508
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Echinococcus multilocularis dna polymerase kappa 0.0036 0.1162 0.1726
Schistosoma mansoni heat shock protein 0.0043 0.147 0.2183
Trypanosoma brucei heat shock protein, putative 0.0043 0.147 0.4103
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0216 0.0534
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0015 0.0216 0.0534
Echinococcus multilocularis heat shock protein 0.0043 0.147 0.2183
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0036 0.1162 0.1726
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.1466 0.2178
Trypanosoma cruzi heat shock protein 90, putative 0.0043 0.147 0.4103
Trypanosoma brucei heat shock protein 84, putative 0.0029 0.0815 0.2238
Echinococcus granulosus heat shock protein 0.0043 0.147 0.2183
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0191 0.0163
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0113 0.4624 1
Plasmodium falciparum thioredoxin reductase 0.0045 0.1532 0.2184
Trypanosoma brucei heat shock protein, putative 0.0043 0.147 0.4103
Schistosoma mansoni DNA polymerase eta 0.0061 0.2247 0.3337
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0029 0.0815 0.121
Mycobacterium tuberculosis Probable dehydrogenase 0.0102 0.4111 0.8844
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase isozyme L3 0.0029 0.0829 0.1162
Trypanosoma brucei heat shock protein, putative 0.0043 0.147 0.4103
Schistosoma mansoni ubiquitinyl hydrolase-UCH37 (C12 family) 0.0077 0.3002 0.4459
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0096 0.3842 1
Trypanosoma brucei polo-like protein kinase 0.0089 0.3541 1
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.3541 0.9201
Entamoeba histolytica heat shock protein 90, putative 0.0043 0.147 0.4042
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0191 0.0236
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.3541 0.9201
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0592 0.1604
Trypanosoma brucei heat shock protein, putative 0.0043 0.147 0.4103
Plasmodium falciparum heat shock protein 90, putative 0.0164 0.6913 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0065 0.0102
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0077 0.3002 0.8467
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Giardia lamblia Grp94/Hsp90 0.0041 0.135 0.3464
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Mycobacterium ulcerans DNA polymerase IV 0.0036 0.1162 0.3275
Entamoeba histolytica hypothetical protein 0.0034 0.105 0.2836
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0011 0.0031 0.0002
Brugia malayi serine/threonine-protein kinase plk-2 0.0089 0.3541 0.3522
Mycobacterium tuberculosis Conserved hypothetical protein 0.0036 0.1162 0.219
Trypanosoma cruzi Heat shock protein 83, putative 0.0043 0.147 0.4103
Leishmania major ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C12, putative 0.0077 0.3002 0.8467
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0029 0.0815 0.121
Echinococcus granulosus heat shock protein 90 0.0043 0.147 0.2183
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.3541 0.9201
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Loa Loa (eye worm) hypothetical protein 0.0143 0.5952 0.5941
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Brugia malayi Latrophilin receptor protein 2 0.0015 0.019 0.0162
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0216 0.0534
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase isozyme 0.0077 0.3002 0.4459
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0015 0.0216 0.0534
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0102 0.4111 0.8844
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0088 0.3489 0.5182
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0191 0.0284
Onchocerca volvulus Serine\/threonine kinase homolog 0.0089 0.3541 0.5305
Giardia lamblia Kinase, PLK 0.0089 0.3541 0.9208
Leishmania major DNA polymerase eta, putative 0.0061 0.2247 0.6316
Trypanosoma brucei heat shock protein, putative 0.0043 0.147 0.4103
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0015 0.0216 0.0056
Plasmodium falciparum glutathione reductase 0.0045 0.1532 0.2184
Trypanosoma brucei heat shock protein, putative 0.0043 0.147 0.4103
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase UCHL3 0.0029 0.0829 0.1162
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0065 0.0102
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0015 0.0216 0.0273
Leishmania major heat shock protein, putative 0.0029 0.0815 0.2238
Leishmania major ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C12, putative 0.0029 0.0829 0.2278
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0592 0.1604
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0191 0.0463
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0028 0.0796 0.2185
Echinococcus granulosus GPCR family 2 0.0015 0.019 0.0283
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0036 0.1162 0.3227
Schistosoma mansoni heat shock protein 0.0043 0.147 0.2183
Trypanosoma brucei heat shock protein, putative 0.0043 0.147 0.4103
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Echinococcus granulosus thioredoxin glutathione reductase 0.0045 0.1532 0.2275
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.1466 0.2178
Toxoplasma gondii Hsp90 domain-containing protein 0.0164 0.6913 1
Plasmodium vivax thioredoxin reductase, putative 0.0045 0.1532 0.2184
Toxoplasma gondii NADPH-glutathione reductase 0.0015 0.0216 0.0273
Trichomonas vaginalis heat shock protein, putative 0.0041 0.135 0.3402
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0541 0.126
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0088 0.3489 0.9853
Trichomonas vaginalis CAMK family protein kinase 0.0044 0.151 0.3825
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0216 0.0321
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0113 0.4624 1
Onchocerca volvulus 0.0143 0.5952 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0191 0.0463
Toxoplasma gondii heat shock protein 75, putative 0.0029 0.0815 0.1142
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0047 0.1641 0.1617
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0216 0.0534
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0088 0.3489 0.347
Giardia lamblia Heat shock protein HSP 90-alpha 0.0043 0.147 0.3778
Entamoeba histolytica deoxycytidyl transferase, putative 0.0036 0.1162 0.3157
Loa Loa (eye worm) hypothetical protein 0.0114 0.4664 0.4648
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0216 0.0534
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0102 0.4111 0.8844
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.019 0.0283
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.1162 0.3227
Trypanosoma brucei unspecified product 0.0036 0.1162 0.3227
Mycobacterium ulcerans DNA polymerase IV 0.0036 0.1162 0.3275
Schistosoma mansoni endoplasmin 0.0043 0.147 0.2183
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.1466 0.2178
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0036 0.1162 0.1137
Toxoplasma gondii thioredoxin reductase 0.0045 0.1532 0.2184
Plasmodium falciparum thioredoxin reductase 0.0015 0.0216 0.0273
Plasmodium vivax heat shock protein, putative 0.0164 0.6913 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1641 0.1617
Trypanosoma brucei trypanothione reductase 0.0045 0.1532 0.428
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0102 0.4111 0.8844
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0029 0.0834 0.2294
Trichomonas vaginalis heat shock protein, putative 0.0041 0.135 0.3402
Trichomonas vaginalis CAMK family protein kinase 0.0044 0.151 0.3825
Trichomonas vaginalis glutathione reductase, putative 0.0015 0.0216 0.0401
Toxoplasma gondii heat shock protein HSP90 0.0043 0.147 0.2093
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0088 0.3489 0.9853
Trypanosoma cruzi heat shock protein 85, putative 0.0043 0.147 0.4103
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0652 0.1775
Schistosoma mansoni hypothetical protein 0.0015 0.019 0.0283
Trypanosoma brucei Heat shock protein 83, putative 0.0043 0.147 0.4103
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0191 0.0284
Entamoeba histolytica hypothetical protein 0.0034 0.105 0.2836
Brugia malayi hypothetical protein 0.0015 0.0211 0.0183
Brugia malayi hypothetical protein 0.0143 0.5952 0.5941
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0216 0.0188
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Brugia malayi Hsp90 protein 0.0029 0.0815 0.0788
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0037 0.1188 0.1764
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1162 0.3227
Schistosoma mansoni ubiquitinyl hydrolase-UCH37 (C12 family) 0.0077 0.3002 0.4459
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0216 0.0534
Loa Loa (eye worm) transcription factor SMAD2 0.0113 0.4602 0.4586
Toxoplasma gondii heat shock protein 90, putative 0.0043 0.147 0.2093
Entamoeba histolytica heat shock protein 90, putative 0.0043 0.147 0.4042
Trichomonas vaginalis heat shock protein, putative 0.0037 0.1188 0.2973
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Brugia malayi isocitrate dehydrogenase 0.0015 0.0191 0.0163
Echinococcus multilocularis GPCR, family 2 0.0015 0.019 0.0283
Brugia malayi hypothetical protein 0.0034 0.105 0.1025
Trypanosoma cruzi DNA polymerase eta, putative 0.0061 0.2247 0.6316
Trypanosoma cruzi heat shock protein 90, putative 0.0018 0.0335 0.0874
Schistosoma mansoni hypothetical protein 0.0034 0.105 0.156
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0089 0.3541 0.5258
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase BAP1 0.0029 0.0829 0.1231
Echinococcus granulosus geminin 0.016 0.6733 1
Treponema pallidum heat shock protein 90 0.0041 0.135 0.3463
Plasmodium vivax endoplasmin, putative 0.0043 0.147 0.2093
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Trichomonas vaginalis DNA polymerase eta, putative 0.0036 0.1162 0.2905
Plasmodium vivax glutathione reductase, putative 0.0045 0.1532 0.2184
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0096 0.3842 1
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0036 0.1162 0.219
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0592 0.0818
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0011 0.0031 0.0002
Trichomonas vaginalis Clan CA, family C12, ubiquitin hydrolase-like cysteine peptidase 0.0029 0.0829 0.2022
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0015 0.0216 0.0542
Leishmania major heat shock protein 83-1 0.0043 0.147 0.4103
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase isozyme L3, putative 0.0029 0.0829 0.1162
Mycobacterium ulcerans heat shock protein 90 0.0041 0.135 0.3818
Trichomonas vaginalis mercuric reductase, putative 0.0015 0.0216 0.0401
Loa Loa (eye worm) hypothetical protein 0.0032 0.097 0.0944

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.02 uM Inhibition of [3H]-SP binding to guinea pig trachea strips ChEMBL. 1380560

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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