Detailed information for compound 202770

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.87 | Formula: C20H25ClNO3-
  • H donors: 1 H acceptors: 2 LogP: 2.23 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCC(=O)O)CCCOc1ccc(cc1)Cc1ccccc1.[Cl-]
  • InChi: 1S/C20H25NO3.ClH/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17;/h2-4,6-11H,5,12-16H2,1H3,(H,22,23);1H/p-1
  • InChiKey: SBBJJLDNKNNWFJ-UHFFFAOYSA-M  


Substructure search Similarity search

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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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0565 0.6548 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0164 0.2037
Onchocerca volvulus 0.0037 0.0267 0.1046
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0639 0.1515
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Echinococcus multilocularis zinc finger protein 0.0019 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0035 0.0239 0.0573
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0164 0.039
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0164 0.018
Echinococcus multilocularis chromobox protein 1 0.0141 0.1496 0.1496
Loa Loa (eye worm) hypothetical protein 0.0023 0.0098 0.0234
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0069 0.0106
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0164 0.2037
Loa Loa (eye worm) CHromoDomain protein family member 0.0025 0.012 0.0287
Schistosoma mansoni hypothetical protein 0.0065 0.0601 0.1425
Brugia malayi beta-lactamase family protein 0.0037 0.0267 0.0641
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0069 0.0106
Echinococcus multilocularis dna polymerase eta 0.0019 0.0047 0.0047
Leishmania major trypanothione reductase 0.0083 0.0806 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0517 0.1241
Brugia malayi hypothetical protein 0.0039 0.0287 0.0688
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0267 0.0408
Echinococcus granulosus Chromo domain 0.0023 0.0098 0.0231
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0164 0.2037
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0164 0.2037
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2221 0.5329
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0047 0.0586
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0102 0.0102
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0083 0.0198
Toxoplasma gondii exonuclease III APE 0.0021 0.0069 0.086
Echinococcus granulosus leukotriene A 4 hydrolase 0.0279 0.314 0.7448
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0158 0.1955
Echinococcus granulosus dna polymerase eta 0.0019 0.0047 0.0112
Schistosoma mansoni transient receptor potential channel 0.0062 0.0561 0.1332
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0267 0.0718
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0164 0.0382
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0047 0.0586
Mycobacterium ulcerans beta-lactamase 0.0037 0.0267 0.0859
Brugia malayi PHD-finger family protein 0.0028 0.016 0.0383
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0601 0.1442
Loa Loa (eye worm) hypothetical protein 0.0039 0.0293 0.0703
Loa Loa (eye worm) hypothetical protein 0.0028 0.016 0.0383
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0037 0.0267 0.0641
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.0459 0.1021
Echinococcus multilocularis chromobox protein 1 0.0141 0.1496 0.1496
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0023 0.0098 0.1209
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0267 0.0408
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0164 0.2037
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0098 0.0149
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0224 0.2488 0.5902
Brugia malayi CHD4 protein 0.0025 0.012 0.0287
Plasmodium falciparum thioredoxin reductase 0.0029 0.0164 0.2037
Loa Loa (eye worm) hypothetical protein 0.0079 0.0761 0.1827
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0047 0.0586
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0267 0.0859
Loa Loa (eye worm) hypothetical protein 0.0045 0.0364 0.0874
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0188 0.2065 0.6591
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0521 0.1677
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0164 0.0528
Loa Loa (eye worm) glutathione reductase 0.0083 0.0806 0.1935
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0561 0.1332
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0069 0.0106
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0267 0.0718
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0287 0.0287
Schistosoma mansoni ap endonuclease 0.0021 0.0069 0.0164
Schistosoma mansoni chromobox protein 0.0141 0.1496 0.3548
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0098 0.0149
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0511 0.0511
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0267 0.0718
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0445 0.5516
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0069 0.086
Loa Loa (eye worm) hypothetical protein 0.0081 0.0793 0.1903
Plasmodium vivax hypothetical protein, conserved 0.0028 0.016 0.1979
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 0.314 0.314
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0164 0.2037
Entamoeba histolytica hypothetical protein 0.0039 0.0287 0.0438
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0445 0.5516
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0365 0.4167 1
Plasmodium vivax glutathione reductase, putative 0.0083 0.0806 1
Echinococcus granulosus GPCR family 2 0.0065 0.0601 0.1425
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0023 0.0098 0.0231
Brugia malayi PHD-finger family protein 0.0024 0.0111 0.0266
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0023 0.0098 0.0231
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0047 0.0113
Echinococcus granulosus thioredoxin glutathione reductase 0.0083 0.0812 0.1926
Plasmodium vivax thioredoxin reductase, putative 0.0083 0.0806 1
Brugia malayi Bromodomain containing protein 0.0031 0.0187 0.0448
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0023 0.0098 0.1209
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.1914 0.75
Schistosoma mansoni hypothetical protein 0.002 0.0061 0.0146
Loa Loa (eye worm) hypothetical protein 0.0094 0.0939 0.2253
Echinococcus granulosus chromobox protein 2 0.0023 0.0098 0.0231
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0209 0.2315 0.7408
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0923 0.219
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.0793 0.255
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0098 0.0149
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0164 0.2037
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0047 0.0586
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0155 0.0367
Plasmodium vivax SET domain protein, putative 0.0029 0.0168 0.2079
Mycobacterium tuberculosis Conserved protein 0.0037 0.0267 0.0718
Mycobacterium tuberculosis Conserved protein 0.0037 0.0267 0.0718
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0252 0.0598
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0098 0.0149
Echinococcus multilocularis Chromo domain 0.0023 0.0098 0.0098
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0267 0.0718
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.0164 0.2037
Leishmania major DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Trichomonas vaginalis chromobox protein, putative 0.0023 0.0098 0.0149
Brugia malayi TAR-binding protein 0.0069 0.0639 0.1533
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0639 0.1515
Mycobacterium ulcerans lipase LipD 0.0037 0.0267 0.0859
Echinococcus multilocularis chromobox protein 2 0.0023 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0023 0.0098 0.0234
Trichomonas vaginalis chromobox protein, putative 0.0141 0.1496 0.2285
Echinococcus granulosus geminin 0.0369 0.4216 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Echinococcus granulosus chromobox protein 1 0.0141 0.1496 0.3548
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0206 0.2279 0.547
Plasmodium falciparum glutathione reductase 0.0029 0.0164 0.2037
Brugia malayi Thioredoxin reductase 0.0083 0.0806 0.1935
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0459 0.1345
Schistosoma mansoni hypothetical protein 0.0065 0.0601 0.1425
Trichomonas vaginalis chromobox protein, putative 0.0023 0.0098 0.0149
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0164 0.0394
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.016 0.0378
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0098 0.0149
Loa Loa (eye worm) hypothetical protein 0.0037 0.0267 0.0641
Trichomonas vaginalis hypothetical protein 0.0023 0.0098 0.0149
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0069 0.0166
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0164 0.2037
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0098 0.0149
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0445 0.5516
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0238 0.0238
Schistosoma mansoni transient receptor potential channel 0.0062 0.0561 0.1332
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0252 0.0598
Leishmania major hypothetical protein, conserved 0.0037 0.0267 0.3312
Plasmodium falciparum heterochromatin protein 1 0.0023 0.0098 0.1209
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0047 0.0047
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0565 0.6548 1
Echinococcus multilocularis Chromobox protein 3 0.0023 0.0098 0.0098
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0521 0.1677
Echinococcus granulosus peregrin 0.0031 0.0187 0.0443
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0164 0.2037
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0069 0.086
Mycobacterium tuberculosis Conserved protein 0.0037 0.0267 0.0718
Onchocerca volvulus 0.0037 0.0267 0.1046
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.0793 0.9832
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0601 0.1442
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0168 0.0397
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0188 0.2065 0.6591
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0098 0.0149
Brugia malayi beta-lactamase family protein 0.0037 0.0267 0.0641
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0164 0.2037
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0639 0.1515
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0188 0.2065 0.6464
Leishmania major hypothetical protein, conserved 0.0052 0.0445 0.5516
Brugia malayi glutathione reductase 0.0083 0.0806 0.1935
Schistosoma mansoni hypothetical protein 0.0028 0.016 0.0378
Brugia malayi M-phase phosphoprotein, mpp8 0.0023 0.0098 0.0234
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0164 0.2037
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0168 0.2079
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0267 0.0718
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0445 0.5516
Schistosoma mansoni hypothetical protein 0.0141 0.1502 0.3563
Loa Loa (eye worm) hypothetical protein 0.0023 0.0098 0.0234
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0164 0.2037
Toxoplasma gondii ABC1 family protein 0.0037 0.0267 0.3312
Schistosoma mansoni hypothetical protein 0.0369 0.4216 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0209 0.2315 0.7311
Echinococcus multilocularis thioredoxin glutathione reductase 0.0083 0.0812 0.0812
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0565 0.6548 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0074 0.0177
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0267 0.0633
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0158 0.1955
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0224 0.2488 0.2488
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0098 0.1209
Loa Loa (eye worm) hypothetical protein 0.0037 0.0267 0.0641
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.0793 1
Schistosoma mansoni transient receptor potential channel 0.0094 0.0939 0.2227
Schistosoma mansoni zinc finger protein 0.0019 0.0049 0.0117
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.016 0.1979
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0098 0.0149
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0565 0.6548 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0315 0.0756
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0047 0.0113
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0521 0.1549
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0047 0.0072
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.002 0.0048
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0085 0.0832 0.3262
Mycobacterium tuberculosis Probable oxidoreductase 0.0209 0.2315 0.7408
Onchocerca volvulus 0.0052 0.0441 0.1729
Trichomonas vaginalis chromobox protein, putative 0.0085 0.0832 0.1271
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0023 0.0098 0.0234
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0276 0.3109 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.016 0.0378
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0047 0.0112
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0045 0.0364 0.0863
Echinococcus granulosus transient receptor potential ion channel A 0.0091 0.0902 0.2139
Onchocerca volvulus 0.0023 0.0098 0.0382
Brugia malayi Heterochromatin protein 1 0.0141 0.1496 0.359
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0267 0.0641
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0098 0.0149
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0459 0.1345
Schistosoma mansoni hypothetical protein 0.0023 0.0102 0.0243
Brugia malayi Probable ClpP-like protease 0.0081 0.0793 0.1903
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0164 0.1312
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0098 0.0149
Treponema pallidum NADH oxidase 0.0029 0.0164 0.0147
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0267 0.0718
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0188 0.2065 0.6591
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0098 0.0149
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0164 0.0164
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0047 0.0072
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Trypanosoma brucei trypanothione reductase 0.0083 0.0806 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0164 0.2037
Toxoplasma gondii thioredoxin reductase 0.0083 0.0806 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.023 0.023
Echinococcus multilocularis transient receptor potential gamma protein 0.0094 0.0939 0.0939
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0521 0.6467
Trichomonas vaginalis set domain proteins, putative 0.0229 0.2552 0.3897
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0098 0.0149
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0023 0.0098 0.1209
Brugia malayi Bromodomain containing protein 0.0037 0.0265 0.0636
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0601 0.0601
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.0793 0.2152
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0052 0.0441 0.1047
Trichomonas vaginalis chromobox protein, putative 0.0023 0.0098 0.0149
Echinococcus granulosus transient receptor potential gamma protein 0.0094 0.0939 0.2227
Trichomonas vaginalis Heterochromatin protein, putative 0.0023 0.0098 0.0149
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.0793 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0238 0.0564
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0164 0.2037
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0045 0.0364 0.0863
Brugia malayi Pre-SET motif family protein 0.0029 0.0168 0.0402
Loa Loa (eye worm) hypothetical protein 0.0037 0.0267 0.0641
Echinococcus multilocularis peregrin 0.0031 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0141 0.1502 0.3605
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0069 0.086
Echinococcus granulosus TRP transient receptor potential channel 0.0035 0.0239 0.0566
Brugia malayi Bromodomain containing protein 0.0073 0.0688 0.165
Plasmodium vivax heterochromatin protein 1, putative 0.0023 0.0098 0.1209
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0561 0.1332
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Echinococcus multilocularis geminin 0.0369 0.4216 0.4216
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0023 0.0098 0.1209
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0069 0.086
Loa Loa (eye worm) hypothetical protein 0.0052 0.0445 0.1067
Brugia malayi Protein cec-1. 0.0023 0.0098 0.0234
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0047 0.0112
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.0793 0.0793
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.0793 0.188
Entamoeba histolytica hypothetical protein 0.0039 0.0287 0.0438
Giardia lamblia Fructose-bisphosphate aldolase 0.0565 0.6548 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0639 0.1515
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0098 0.0149
Loa Loa (eye worm) hypothetical protein 0.0068 0.0638 0.1532
Brugia malayi SET domain containing protein 0.0024 0.011 0.0264
Brugia malayi hypothetical protein 0.0128 0.1349 0.3236
Schistosoma mansoni hypothetical protein 0.0065 0.0601 0.1425
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Brugia malayi hypothetical protein 0.0034 0.0225 0.0539
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0025 0.012 0.012
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0098 0.0149
Schistosoma mansoni hypothetical protein 0.0369 0.4216 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0565 0.6548 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0074 0.0177
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0083 0.0806 0.248
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0025 0.012 0.0283
Brugia malayi chromobox protein homolog 3 0.0079 0.0761 0.1827
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.0164 0.2037
Schistosoma mansoni chromobox protein 0.0141 0.1496 0.3548
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0069 0.0164
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0267 0.0371
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0267 0.0633
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0267 0.0408
Entamoeba histolytica hypothetical protein 0.0023 0.0098 0.0149
Schistosoma mansoni bromodomain containing protein 0.0061 0.0553 0.1311
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0276 0.3109 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0069 0.0166
Brugia malayi Valyl-tRNA synthetase 0.0023 0.0098 0.0234
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0565 0.6548 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.0267 0.0859
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0047 0.0113
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0445 0.5516
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0164 0.2037
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 0.314 0.7536
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0047 0.0047
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0023 0.0098 0.0098
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0069 0.0223
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.002 0.002
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.0793 0.9832
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.0793 0.9832
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Trypanosoma brucei unspecified product 0.0019 0.0047 0.0586
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0565 0.6548 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.0793 0.255
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0267 0.0859
Loa Loa (eye worm) hypothetical protein 0.0062 0.0559 0.1341
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.0638
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0267 0.3312
Echinococcus multilocularis GPCR, family 2 0.0065 0.0601 0.0601
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0098 0.0149
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0158 0.0136
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0102 0.0243
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0023 0.0098 0.0231
Onchocerca volvulus 0.0037 0.0267 0.1046
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0511 0.1213
Brugia malayi latrophilin 2 splice variant baaae 0.0141 0.1502 0.3605
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0164 0.1312
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0521 0.0521
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0164 0.0528
Schistosoma mansoni hypothetical protein 0.0023 0.0098 0.0231
Loa Loa (eye worm) hypothetical protein 0.0023 0.0098 0.0234
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0639 0.0639
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0069 0.0034
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0079 0.0761 0.2983
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0521 0.6467
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0639 0.1533
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0291 0.0291
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0047 0.0586
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0697 0.1654
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0098 0.0149
Brugia malayi jmjC domain containing protein 0.0092 0.0923 0.2216
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0045 0.0364 0.0364
Mycobacterium leprae Probable lipase LipE 0.0037 0.0267 0.0371
Loa Loa (eye worm) hypothetical protein 0.0365 0.4167 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0098 0.0234
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0098 0.0149
Onchocerca volvulus Alhambra homolog 0.0028 0.016 0.0625
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0565 0.6548 1
Schistosoma mansoni ap endonuclease 0.0021 0.0069 0.0164
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0069 0.086
Loa Loa (eye worm) hypothetical protein 0.0037 0.0267 0.0641
Loa Loa (eye worm) hypothetical protein 0.0037 0.0267 0.0641
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0252 0.0598
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0445 0.5516
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Echinococcus granulosus tar DNA binding protein 0.0069 0.0639 0.1515
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0267 0.0641
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0047 0.0072
Brugia malayi hypothetical protein 0.0052 0.0445 0.1067
Treponema pallidum fructose-bisphosphate aldolase 0.0565 0.6548 1
Brugia malayi N-terminal motif family protein 0.0176 0.1914 0.4593
Echinococcus granulosus zinc finger protein 0.0019 0.0049 0.0117
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0047 0.0112
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.0164 0.2037
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0267 0.0408
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.016 0.016
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.016 0.1979
Plasmodium falciparum thioredoxin reductase 0.0083 0.0806 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0168 0.0168
Brugia malayi beta-lactamase 0.0037 0.0267 0.0641
Onchocerca volvulus 0.0023 0.0098 0.0382
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0267 0.3312
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0023 0.0098 0.1209
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0164 0.039
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0521 0.1237
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0445 0.5516
Loa Loa (eye worm) hypothetical protein 0.0032 0.0201 0.0483
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0098 0.0149
Brugia malayi Associated with TFs and helicases family protein 0.0023 0.0098 0.0234
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0164 0.0251
Schistosoma mansoni hypothetical protein 0.0039 0.0287 0.068
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0069 0.086
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0267 0.0718
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0098 0.1209
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0209 0.2315 0.7408
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.0793 0.1117
Loa Loa (eye worm) hypothetical protein 0.0059 0.0524 0.1258
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0267 0.0408
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0025 0.012 0.0283
Trichomonas vaginalis esterase, putative 0.0037 0.0267 0.0408
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0023 0.0098 0.0231
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0113
Plasmodium falciparum glutathione reductase 0.0083 0.0806 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0601 0.1442
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0098 0.0149
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0761 0.1163
Toxoplasma gondii hypothetical protein 0.0028 0.0158 0.1955
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0761 0.1163
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.0793 0.9832
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0267 0.3312
Loa Loa (eye worm) beta-lactamase 0.0037 0.0267 0.0641
Echinococcus granulosus histone lysine methyltransferase setb 0.0045 0.0364 0.0863
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0083 0.0198
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0188 0.2065 0.6591
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0267 0.0633
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.0459 0.1088
Schistosoma mansoni hypothetical protein 0.0065 0.0601 0.1425
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0027 0.0065
Trypanosoma cruzi trypanothione reductase, putative 0.0083 0.0806 1
Leishmania major DNA polymerase eta, putative 0.0019 0.0047 0.0586
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.0048
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 0.314 0.7448
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.0793 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0639 0.1515
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0098 0.0149
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0035 0.0239 0.0239
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0561 0.0561
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0488 0.0745
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0098 0.0149
Entamoeba histolytica hypothetical protein 0.0039 0.0287 0.0438
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.0048
Mycobacterium tuberculosis Probable dehydrogenase 0.0188 0.2065 0.6591
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0601 0.1425
Trichomonas vaginalis chromobox protein, putative 0.0141 0.1496 0.2285
Onchocerca volvulus 0.0229 0.2552 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0639 0.1533
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.0459 0.0459
Echinococcus multilocularis transient receptor potential ion channel A 0.0091 0.0902 0.0902
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.2655 0.852
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0252 0.0605
Brugia malayi jmjC domain containing protein 0.0036 0.0252 0.0605
Loa Loa (eye worm) hypothetical protein 0.0048 0.0399 0.0959
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0521 0.1237
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0287 0.068
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0267 0.3312
Echinococcus granulosus dna polymerase kappa 0.0019 0.0047 0.0112
Echinococcus granulosus Chromobox protein 3 0.0023 0.0098 0.0231
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0565 0.6548 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0521 0.1677
Trichomonas vaginalis chromobox protein, putative 0.0085 0.0832 0.1271
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0069 0.0072
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0586
Brugia malayi RNA binding protein 0.0069 0.0639 0.1533
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.0164 0.2037
Brugia malayi Pre-SET motif family protein 0.0202 0.2221 0.5329
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0164 0.0528
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0098 0.0149
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0061 0.0147
Schistosoma mansoni chromobox protein 0.0023 0.0098 0.0231
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0561 0.0561
Giardia lamblia PHD finger protein 15 0.0028 0.016 0.0173
Schistosoma mansoni transient receptor potential channel 4 0.0094 0.0939 0.2227
Loa Loa (eye worm) hypothetical protein 0.0023 0.0098 0.0234
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0164 0.2037
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0601 0.1442
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0565 0.6548 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0521 0.1237
Entamoeba histolytica hypothetical protein 0.0039 0.0287 0.0438
Brugia malayi Calcitonin receptor-like protein seb-1 0.0206 0.2279 0.547
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0488 0.0745
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0923 0.0923
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0164 0.2037
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0291 0.069
Loa Loa (eye worm) heterochromatin protein 1 0.0141 0.1496 0.359
Brugia malayi hypothetical protein 0.0023 0.0098 0.0234
Schistosoma mansoni chromobox protein 0.0023 0.0098 0.0231
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.0793 0.188
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0639 0.1533
Loa Loa (eye worm) thioredoxin reductase 0.0083 0.0806 0.1935
Loa Loa (eye worm) hypothetical protein 0.0176 0.1914 0.4593
Loa Loa (eye worm) RNA binding protein 0.0069 0.0639 0.1533
Mycobacterium tuberculosis Probable reductase 0.0188 0.2065 0.6591
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.016 0.0383
Plasmodium falciparum phd finger protein, putative 0.0028 0.016 0.1979
Echinococcus granulosus chromobox protein 1 0.0141 0.1496 0.3548
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0047 0.0152
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0276 0.3109 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0047 0.0152
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0029 0.0164 0.2037
Schistosoma mansoni DNA polymerase eta 0.0019 0.0047 0.0112
Onchocerca volvulus 0.0062 0.0559 0.2189
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0287 0.068
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0098 0.0149
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0098 0.0149
Entamoeba histolytica hypothetical protein 0.0023 0.0098 0.0149
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0029 0.0164 0.2037
Loa Loa (eye worm) helicase 0.0023 0.0098 0.0234
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0267 0.0267
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0164 0.0251
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0047 0.0586
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0023 0.0098 0.0234
Brugia malayi Transient-receptor-potential like protein 0.0035 0.0239 0.0573
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0098 0.0149
Entamoeba histolytica hypothetical protein 0.0023 0.0098 0.0149

Activities

Activity type Activity value Assay description Source Reference
ED90 (functional) = 3 mg kg-1 Effective dose measured for mouse ex vivo whole blood LTB-4 production; Range is from 1-3. ChEMBL. 12139459
IC50 (binding) = 0.0025 uM Inhibition of human leukotriene A4 hydrolase (LTA-4). ChEMBL. 12139459
IC50 (functional) = 0.049 uM Inhibition of human whole blood LTB-4 production (Leukotriene B-4). ChEMBL. 12139459

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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