Detailed information for compound 182244

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 594.022 | Formula: C29H31ClF3N3O5
  • H donors: 1 H acceptors: 3 LogP: 5.78 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(OC(=O)C1=C(C)NC(=O)N(C1c1ccccc1C(F)(F)F)C(=O)OC1CCN(CC1)Cc1ccc(cc1)Cl)C
  • InChi: 1S/C29H31ClF3N3O5/c1-17(2)40-26(37)24-18(3)34-27(38)36(25(24)22-6-4-5-7-23(22)29(31,32)33)28(39)41-21-12-14-35(15-13-21)16-19-8-10-20(30)11-9-19/h4-11,17,21,25H,12-16H2,1-3H3,(H,34,38)
  • InChiKey: NQZHGOYXVGZNDV-UHFFFAOYSA-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
Toxoplasma gondii hexokinase 0.0078 0.2347 0.4206
Echinococcus granulosus dna polymerase eta 0.0062 0.1811 0.3332
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2856 0.5747
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2856 0.5747
Echinococcus multilocularis hexokinase 0.0078 0.2347 0.4318
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0171 0.0219
Echinococcus granulosus geminin 0.0165 0.5435 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0152 0.4969 0.717
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0152 0.4969 1
Trichomonas vaginalis endoplasmin, putative 0.0032 0.0751 0.1512
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0171 0.0219
Loa Loa (eye worm) hypothetical protein 0.0033 0.078 0.078
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.3317 0.7875
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2856 0.5747
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0523 0.0729
Schistosoma mansoni heat shock protein 0.0045 0.1183 0.2178
Loa Loa (eye worm) hexokinase 0.0024 0.0455 0.0455
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0022 0.0022
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.045 0.087
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.3317 0.7875
Brugia malayi polk-prov protein 0.0012 0.002 0.002
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.015 0.0277
Brugia malayi SET domain containing protein 0.0012 0.0038 0.0038
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0171 0.0345
Schistosoma mansoni SET domain protein 0.0032 0.0735 0.1352
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0171 0.0219
Plasmodium falciparum DNA repair protein REV1, putative 0.0012 0.002 0.0036
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0171 0.0315
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.2856 0.5255
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0171 0.0219
Trypanosoma brucei unspecified product 0.0038 0.0935 0.1326
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.2856 0.2856
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.061 0.1123
Leishmania major DNA polymerase eta, putative 0.0036 0.0896 0.1269
Trypanosoma brucei heat shock protein, putative 0.0045 0.1183 0.1686
Echinococcus multilocularis heat shock protein 0.0045 0.1183 0.2178
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.045 0.0624
Echinococcus multilocularis peregrin 0.0038 0.0938 0.1725
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0152 0.4969 0.717
Giardia lamblia Heat shock protein HSP 90-alpha 0.0038 0.0956 0.1891
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.045 0.0829
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0152 0.4969 0.8907
Brugia malayi MH2 domain containing protein 0.0116 0.3713 0.3713
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0935 0.1326
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.045 0.0906
Onchocerca volvulus Alhambra homolog 0.0028 0.061 0.0575
Giardia lamblia DINP protein human, muc B family 0.0038 0.0935 0.1849
Trypanosoma brucei heat shock protein, putative 0.0045 0.1183 0.1686
Trypanosoma brucei hypothetical protein, conserved 0.0207 0.6923 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0152 0.4969 0.9144
Brugia malayi Hsp90 protein 0.003 0.0655 0.0655
Trypanosoma brucei unspecified product 0.0026 0.0523 0.0729
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1053 0.1019
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.3731 0.8904
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.3731 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1234 0.227
Schistosoma mansoni hexokinase 0.0078 0.2347 0.4318
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0152 0.4969 1
Onchocerca volvulus 0.0078 0.2347 0.2318
Treponema pallidum heat shock protein 90 0.0042 0.1087 0.1908
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0152 0.4969 0.717
Trypanosoma brucei polo-like protein kinase 0.0092 0.2856 0.4108
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0935 0.195
Brugia malayi Latrophilin receptor protein 2 0.0015 0.015 0.015
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0152 0.4969 0.717
Echinococcus granulosus chromobox protein 1 0.0068 0.2004 0.3687
Schistosoma mansoni hypothetical protein 0.0015 0.015 0.0277
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.2856 0.2856
Plasmodium falciparum hexokinase 0.0078 0.2347 0.4206
Echinococcus granulosus hexokinase 0.0078 0.2347 0.4318
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.003 0.0655 0.0619
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0559 0.1124
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Brugia malayi jmjC domain containing protein 0.0034 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0049 0.1327 0.1327
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.3317 0.8435
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.01 0.3121 0.628
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0042 0.1087 0.2327
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0956 0.1356
Plasmodium falciparum heat shock protein 90, putative 0.0026 0.0524 0.0939
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0152 0.4969 1
Onchocerca volvulus 0.0295 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.01 0.3121 0.628
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1216 0.2447
Trypanosoma brucei heat shock protein, putative 0.0045 0.1183 0.1686
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0171 0.0219
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2856 0.5747
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0171 0.0219
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0171 0.0219
Onchocerca volvulus 0.003 0.0661 0.0625
Plasmodium vivax heat shock protein, putative 0.0169 0.5579 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0821 0.1511
Loa Loa (eye worm) hypothetical protein 0.0028 0.061 0.061
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Plasmodium vivax glutathione reductase, putative 0.0046 0.1234 0.2211
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0047 0.1269 0.1269
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Plasmodium falciparum heat shock protein 90 0.0045 0.1183 0.2121
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0152 0.4969 0.717
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0171 0.0307
Loa Loa (eye worm) hypothetical protein 0.0038 0.0951 0.0951
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0047 0.1269 0.1809
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.015 0.015
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.2856 0.5255
Trypanosoma brucei heat shock protein, putative 0.0045 0.1183 0.1686
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.015 0.015
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2856 0.4108
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2856 0.4108
Toxoplasma gondii Hsp90 domain-containing protein 0.0169 0.5579 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0152 0.4969 1
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.045 0.087
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0099 0.3118 0.4488
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0171 0.0171
Onchocerca volvulus Hexokinase homolog 0.0049 0.1326 0.1293
Trypanosoma cruzi hexokinase, putative 0.0078 0.2347 0.3371
Loa Loa (eye worm) glutathione reductase 0.0046 0.1234 0.1234
Plasmodium falciparum glutathione reductase 0.0046 0.1234 0.2211
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0152 0.4969 0.8907
Echinococcus granulosus heat shock protein 90 0.0045 0.1183 0.2178
Trypanosoma cruzi heat shock protein 90, putative 0.0045 0.1183 0.1686
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0821 0.1511
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1234 0.227
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0935 0.1326
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0152 0.4969 0.717
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0151 0.019
Loa Loa (eye worm) hexokinase 0.0078 0.2347 0.2347
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0152 0.4969 0.4969
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0523 0.0729
Loa Loa (eye worm) hypothetical protein 0.0025 0.0479 0.0479
Mycobacterium ulcerans hypothetical protein 0.0024 0.045 0.087
Schistosoma mansoni chromobox protein 0.0068 0.2004 0.3687
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0171 0.0306
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0032 0.0735 0.1352
Onchocerca volvulus 0.0049 0.1326 0.1293
Plasmodium vivax endoplasmin, putative 0.0045 0.1183 0.2121
Schistosoma mansoni hypothetical protein 0.0028 0.061 0.1123
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0047 0.1269 0.1809
Echinococcus granulosus hexokinase type 2 0.0078 0.2347 0.4318
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0047 0.1269 0.1809
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0171 0.0219
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0022 0.0022
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2004 0.4032
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0105 0.3308 0.3308
Schistosoma mansoni DNA polymerase IV / kappa 0.0012 0.002 0.0036
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0152 0.4969 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.01 0.3121 0.3121
Plasmodium vivax heat shock protein 86, putative 0.0045 0.1183 0.2121
Plasmodium falciparum endoplasmin, putative 0.0032 0.0751 0.1347
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.1183 0.2382
Loa Loa (eye worm) heat shock protein 90 0.0045 0.1183 0.1183
Toxoplasma gondii heat shock protein HSP90 0.0045 0.1183 0.2121
Loa Loa (eye worm) hypothetical protein 0.0062 0.1811 0.1811
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2856 0.5747
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0935 0.195
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0152 0.4969 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1322 0.1322
Brugia malayi PHD-finger family protein 0.0028 0.061 0.061
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.3317 0.7875
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0038 0.0069
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.1183 0.2382
Schistosoma mansoni hypothetical protein 0.0015 0.015 0.0277
Plasmodium falciparum thioredoxin reductase 0.0046 0.1234 0.2211
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.1183 0.1686
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0151 0.0271
Leishmania major hexokinase, putative 0.0078 0.2347 0.3371
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.003 0.0655 0.1205
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0896 0.1605
Trypanosoma brucei trypanothione reductase 0.0046 0.1234 0.1759
Giardia lamblia Heat shock protein HSP 90-alpha 0.0045 0.1183 0.2351
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0935 0.1849
Trypanosoma brucei hexokinase 0.0078 0.2347 0.3371
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1234 0.2211
Plasmodium falciparum heat shock protein 90, putative 0.0169 0.5579 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0152 0.4969 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2856 0.5747
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Loa Loa (eye worm) heat shock protein 75 0.003 0.0655 0.0655
Echinococcus granulosus jumonji domain containing protein 0.004 0.1003 0.1846
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0151 0.0278
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0935 0.1721
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0951 0.1913
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0152 0.4969 0.717
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.2004 0.2004
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0935 0.1721
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0152 0.4969 0.8907
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0171 0.005
Loa Loa (eye worm) hypothetical protein 0.0295 1 1
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0052 0.146 0.3255
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.01 0.3121 0.3121
Onchocerca volvulus 0.0078 0.2347 0.2318
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0171 0.0315
Plasmodium vivax hexokinase, putative 0.0078 0.2347 0.4206
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1234 0.1759
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0171 0.0306
Toxoplasma gondii thioredoxin reductase 0.0046 0.1234 0.2211
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0152 0.4969 0.9144
Brugia malayi Bromodomain containing protein 0.0028 0.061 0.061
Plasmodium falciparum glutathione reductase 0.0016 0.0171 0.0307
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.1183 0.1686
Trichomonas vaginalis heat shock protein, putative 0.0042 0.1087 0.2187
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Echinococcus multilocularis hexokinase type 2 0.0078 0.2347 0.4318
Echinococcus multilocularis hexokinase 0.0078 0.2347 0.4318
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.1087 0.1908
Trypanosoma cruzi hexokinase, putative 0.0078 0.2347 0.3371
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0152 0.4969 0.9144
Schistosoma mansoni DNA polymerase eta 0.0062 0.1811 0.3332
Trichomonas vaginalis heat shock protein, putative 0.0045 0.1183 0.2382
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.045 0.0624
Echinococcus multilocularis endoplasmin 0.0042 0.1087 0.2
Echinococcus multilocularis heat shock protein 90 0.0045 0.1183 0.2178
Schistosoma mansoni chromobox protein 0.0068 0.2004 0.3687
Brugia malayi Hexokinase family protein 0.0024 0.0455 0.0455
Echinococcus granulosus dna polymerase kappa 0.0038 0.0935 0.1721
Trypanosoma brucei heat shock protein, putative 0.0045 0.1183 0.1686
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1322 0.1322
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0268 0.0359
Schistosoma mansoni hypothetical protein 0.0015 0.015 0.0277
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.045 0.0744
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.045 0.0624
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0935 0.1326
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.061 0.1123
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0171 0.0219
Echinococcus multilocularis chromobox protein 1 0.0068 0.2004 0.3687
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.3731 0.8904
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0105 0.3308 0.3308
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.2856 0.5255
Trypanosoma brucei heat shock protein, putative 0.0045 0.1183 0.1686
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.2856 0.5747
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0171 0.0219
Entamoeba histolytica hexokinase 1 0.0078 0.2347 0.4722
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0171 0.0306
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1678 0.1678
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0751 0.1512
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1322 0.1322
Brugia malayi Hexokinase family protein 0.0049 0.1326 0.1326
Trypanosoma brucei beta lactamase 0.0062 0.1798 0.2576
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.045 0.087
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0151 0.0278
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.061 0.1123
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0152 0.4969 0.9144
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0171 0.0307
Trypanosoma brucei unspecified product 0.0026 0.0523 0.0729
Echinococcus granulosus GPCR family 2 0.0015 0.015 0.0277
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0171 0.0219
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0152 0.4969 0.717
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0012 0.002 0.0036
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0171 0.0219
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0052 0.1457 0.1457
Loa Loa (eye worm) hexokinase 0.0049 0.1326 0.1326
Plasmodium vivax DNA repair protein REV1, putative 0.0012 0.002 0.0036
Leishmania major trypanothione reductase 0.0046 0.1234 0.1759
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.6923 1
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0099 0.3118 0.4488
Trypanosoma cruzi heat shock protein, putative 0.003 0.0655 0.092
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.015 0.0277
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.003 0.0655 0.1205
Schistosoma mansoni kinase 0.0047 0.1259 0.2316
Mycobacterium ulcerans heat shock protein 90 0.0042 0.1087 0.2155
Brugia malayi Hexokinase family protein 0.0078 0.2347 0.2347
Plasmodium falciparum thioredoxin reductase 0.0016 0.0171 0.0307
Echinococcus multilocularis jumonji domain containing protein 0.004 0.1003 0.1846
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.078 0.078
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0171 0.0219
Echinococcus granulosus heat shock protein 0.0045 0.1183 0.2178
Brugia malayi heat shock protein 90 0.0045 0.1183 0.1183
Echinococcus granulosus chromobox protein 1 0.0068 0.2004 0.3687
Schistosoma mansoni hypothetical protein 0.0165 0.5435 1
Echinococcus granulosus heat shock protein 90 0.0038 0.0956 0.1759
Loa Loa (eye worm) hypothetical protein 0.0053 0.1476 0.1476
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1234 0.2693
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1234 0.1234
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0935 0.1849
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0523 0.0729
Brugia malayi chromobox protein homolog 3 0.0038 0.0951 0.0951
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0896 0.1269
Echinococcus granulosus endoplasmin 0.0042 0.1087 0.2
Trypanosoma brucei hexokinase, putative 0.0078 0.2347 0.3371
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0935 0.1721
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0171 0.0315
Onchocerca volvulus 0.0078 0.2347 0.2318
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0052 0.1457 0.2931
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0151 0.0278
Brugia malayi Endoplasmin precursor 0.0045 0.1183 0.1183
Trypanosoma brucei heat shock protein, putative 0.0045 0.1183 0.1686
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1053 0.2119
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0821 0.1511
Entamoeba histolytica hexokinase 2 0.0078 0.2347 0.4722
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0151 0.019
Brugia malayi glutathione reductase 0.0046 0.1234 0.1234
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0171 0.0219
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0099 0.3118 0.4488
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1322 0.1322
Loa Loa (eye worm) endoplasmin 0.0045 0.1183 0.1183
Trypanosoma brucei heat shock protein 84, putative 0.003 0.0655 0.092
Echinococcus multilocularis GPCR, family 2 0.0015 0.015 0.0277
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0171 0.0306
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0099 0.3118 0.4488
Giardia lamblia PHD finger protein 15 0.0028 0.061 0.1193
Loa Loa (eye worm) hypothetical protein 0.01 0.3121 0.3121
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0956 0.1356
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0171 0.0219
Loa Loa (eye worm) hexokinase 0.0078 0.2347 0.2347
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0935 0.1721
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0129 0.4171 1
Leishmania major heat shock protein, putative 0.003 0.0655 0.092
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0152 0.4969 1
Echinococcus multilocularis geminin 0.0165 0.5435 1
Echinococcus granulosus hexokinase 0.0078 0.2347 0.4318
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0152 0.4969 0.717
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.2891 0.532
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.01 0.3121 0.5742
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.2856 0.2829
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0152 0.4969 1
Brugia malayi hexokinase 0.0078 0.2347 0.2347
Trypanosoma brucei Heat shock protein 83, putative 0.0045 0.1183 0.1686
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0038 0.0956 0.1759
Trypanosoma brucei hexokinase 0.0078 0.2347 0.3371
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0821 0.0821
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0171 0.0219
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.045 0.0829
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0559 0.1124
Brugia malayi Thioredoxin reductase 0.0046 0.1234 0.1234
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0152 0.4969 0.8907
Brugia malayi jmjC domain containing protein 0.0093 0.2891 0.2891
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.2891 0.532
Echinococcus multilocularis heat shock protein 90 0.0038 0.0956 0.1759
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.0935 0.1882
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2856 0.5747
Trypanosoma brucei DNA polymerase eta, putative 0.0062 0.1811 0.2595
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.1183 0.1686
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0151 0.0278
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0047 0.1269 0.1809
Giardia lamblia Grp94/Hsp90 0.0042 0.1087 0.2155
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0821 0.1511
Treponema pallidum hexokinase (hxk) 0.0078 0.2347 0.4534
Brugia malayi isocitrate dehydrogenase 0.0015 0.0151 0.0151
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0129 0.4171 0.8387
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0935 0.1882
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0951 0.1913
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.1087 0.1545
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0152 0.4969 1
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0151 0.0271
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0152 0.4969 0.717
Brugia malayi Heterochromatin protein 1 0.0068 0.2004 0.2004
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0152 0.4969 0.9144
Echinococcus multilocularis dna polymerase eta 0.0062 0.1811 0.3332
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.3731 0.8904
Trichomonas vaginalis heat shock protein, putative 0.0026 0.0524 0.1054
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0151 0.0271
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0171 0.0345
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0012 0.002 0.0036
Schistosoma mansoni hypothetical protein 0.0015 0.015 0.0277
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0032 0.0735 0.1352
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.061 0.1094
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.3317 0.7875
Schistosoma mansoni heat shock protein 0.0045 0.1183 0.2178
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0935 0.1326
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1053 0.2119
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0062 0.1798 0.2691
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0151 0.019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0171 0.0219
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0062 0.1798 0.4097
Giardia lamblia Kinase, PLK 0.0092 0.2856 0.573
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0052 0.146 0.141
Brugia malayi hexokinase type II 0.0025 0.0479 0.0479
Trypanosoma brucei heat shock protein, putative 0.0045 0.1183 0.1686
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0151 0.0278
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0099 0.3118 0.6259
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.1183 0.1686
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.1183 0.1686
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.1811 0.2595
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0152 0.4969 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.01 0.3121 0.5742
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0152 0.4969 0.9144
Toxoplasma gondii heat shock protein 90, putative 0.0045 0.1183 0.2121
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.0935 0.1882
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0152 0.4969 0.717
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0935 0.0935
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0935 0.0935
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.3317 0.7875
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0151 0.0151
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2004 0.4032
Brugia malayi ImpB/MucB/SamB family protein 0.0062 0.1811 0.1811
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0171 0.0307
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.015 0.0277
Trypanosoma cruzi Heat shock protein 83, putative 0.0045 0.1183 0.1686
Mycobacterium tuberculosis Conserved protein 0.0024 0.045 0.0744
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.3713 0.3713
Plasmodium vivax hypothetical protein, conserved 0.0028 0.061 0.1094
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0152 0.4969 0.9144
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.2856 0.4108
Leishmania major DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Mycobacterium tuberculosis Probable reductase 0.0105 0.3317 0.7875
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0151 0.019
Schistosoma mansoni endoplasmin 0.0045 0.1183 0.2178
Echinococcus multilocularis hexokinase 0.0078 0.2347 0.4318
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0152 0.4969 0.717
Trichomonas vaginalis heat shock protein, putative 0.0038 0.0956 0.1923
Loa Loa (eye worm) hexokinase type II 0.0078 0.2347 0.2347
Schistosoma mansoni endoplasmin 0.0045 0.1183 0.2178
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0151 0.019
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0152 0.4969 0.9144
Echinococcus multilocularis chromobox protein 1 0.0068 0.2004 0.3687
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0047 0.1269 0.1809
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1216 0.2447
Mycobacterium ulcerans lipoprotein LpqF 0.0062 0.1798 0.3593
Entamoeba histolytica 90 kDa heat shock protein, putative 0.003 0.0655 0.1317
Trichomonas vaginalis heat shock protein, putative 0.0042 0.1087 0.2187
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.061 0.061
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0935 0.1721
Mycobacterium ulcerans hypothetical protein 0.0024 0.045 0.087
Toxoplasma gondii heat shock protein 75, putative 0.003 0.0655 0.1173
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0151 0.0151
Plasmodium vivax heat shock protein 90, putative 0.003 0.0655 0.1173
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0152 0.4969 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0951 0.0917
Echinococcus granulosus peregrin 0.0038 0.0938 0.1725
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0171 0.0307
Leishmania major hexokinase, putative 0.0078 0.2347 0.3371
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0151 0.0271
Loa Loa (eye worm) hypothetical protein 0.003 0.0661 0.0661
Schistosoma mansoni heat shock protein 0.003 0.0655 0.1205
Schistosoma mansoni jumonji domain containing protein 0.0074 0.2216 0.4078
Schistosoma mansoni hypothetical protein 0.0165 0.5435 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Loa Loa (eye worm) hypothetical protein 0.0025 0.0479 0.0479
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.6923 1
Plasmodium falciparum phd finger protein, putative 0.0028 0.061 0.1094
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0151 0.0278
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.015 0.0277
Leishmania major heat shock protein 83-1 0.0045 0.1183 0.1686
Leishmania major hypothetical protein, conserved 0.0207 0.6923 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0151 0.0278
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0152 0.4969 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0171 0.0307
Loa Loa (eye worm) hypothetical protein 0.0015 0.015 0.015
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.3713 0.3713
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.061 0.1094
Schistosoma mansoni hypothetical protein 0.0033 0.078 0.1435
Echinococcus granulosus hexokinase 0.0078 0.2347 0.4318
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0171 0.0307
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0935 0.1326
Leishmania major DNA polymerase eta, putative 0.0062 0.1811 0.2595

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 55 nM In vitro inhibition of potassium-contracted rabbit aorta strips ChEMBL. 1387168
Max/average (functional) = 0 In vivo evaluation for the antihypertensive effect in the spontaneously hypertensive rat is % decrease in blood pressure during post drug administration at 45 umol/kg peroral; 18/17 ChEMBL. 1387168

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

Bibliographic References

1 literature reference was collected for this gene.

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