Detailed information for compound 1126394

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.607 | Formula: C14H11Cl3N2O4
  • H donors: 3 H acceptors: 4 LogP: 2.33 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1OC([C@@H]([C@@H]1O)O)n1c2cc(Cl)c(cc2c(c1Cl)C#N)Cl
  • InChi: 1S/C14H11Cl3N2O4/c15-7-1-5-6(3-18)13(17)19(9(5)2-8(7)16)14-12(22)11(21)10(4-20)23-14/h1-2,10-12,14,20-22H,4H2/t10-,11-,12-,14?/m1/s1
  • InChiKey: KHIUSYDRVUXDDE-ZXRVKKJVSA-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
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.009 0.1017 0.0978
Echinococcus multilocularis aldo keto reductase 0.0767 1 1
Onchocerca volvulus 0.0767 1 1
Echinococcus granulosus hypothetical protein 0.0767 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.041 0.0397
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0163 0.1993 0.193
Trypanosoma cruzi aldo/keto reductase, putative 0.0767 1 1
Trypanosoma brucei DNA repair protein, putative 0.0021 0.0109 0.0109
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0767 1 1
Trypanosoma cruzi DNA repair protein, putative 0.0021 0.0109 0.0032
Trypanosoma brucei aldo-keto reductase, putative 0.0767 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0785 0.0745
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0222 0.2773 0.2742
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0767 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0078 0.0035
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.077 0.073
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0423 0.0381
Loa Loa (eye worm) fli-1 protein 0.0216 0.2691 0.2681
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0221 0.0164
Echinococcus multilocularis voltage gated potassium channel subunit 0.0222 0.2773 0.2742
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.009 0.1017 0.0946
Plasmodium vivax aldehyde reductase, putative 0.0222 0.2773 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.0196 0.0139
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0028 0.0196 0.0139
Schistosoma mansoni potassium channel beta 0.0222 0.2773 0.2742
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0423 0.0385
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0022 0.0116 0.0059
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0226 0.0149
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0028 0.0196 0.0139
Mycobacterium ulcerans polyketide synthase 0.0028 0.0196 0.0139
Loa Loa (eye worm) transcription factor SMAD2 0.024 0.3007 0.2998
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0785 0.0745
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.003 0.0221 0.0164
Echinococcus granulosus dna polymerase kappa 0.0019 0.0078 0.0035
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0078 0.0035
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0022 0.0116 0.0059
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0163 0.1993 0.1958
Brugia malayi NADH-dependent xylose reductase 0.0222 0.2773 0.2745
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0163 0.1993 0.1958
Onchocerca volvulus 0.0767 1 1
Echinococcus multilocularis aldehyde reductase 0.0545 0.7053 0.704
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Schistosoma mansoni pol-related 0.0767 1 1
Loa Loa (eye worm) oxidoreductase 0.0767 1 1
Schistosoma mansoni gabp alpha 0.0071 0.077 0.073
Brugia malayi Ets-domain containing protein 0.0071 0.077 0.0734
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Plasmodium falciparum small ubiquitin-related modifier 0.003 0.0226 0.0272
Trichomonas vaginalis aldo/keto reductase, putative 0.0767 1 1
Trypanosoma brucei poly(adp-ribose) polymerase 0.009 0.1017 0.1017
Echinococcus multilocularis aldo keto reductase 0.0767 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0078 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0423 0.0381
Mycobacterium leprae Probable polyketide synthase Pks1 0.003 0.0221 0.0164
Onchocerca volvulus 0.0767 1 1
Echinococcus granulosus WGR domain containing protein 0.0051 0.0499 0.0458
Mycobacterium tuberculosis Probable thioesterase TesA 0.0026 0.0165 0.0108
Mycobacterium ulcerans polyketide synthase 0.003 0.0221 0.0164
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0237 0.0205
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0423 0.0381
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0767 1 1
Entamoeba histolytica aldose reductase, putative 0.0767 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1475 0.1464
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.041 0.041
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0767 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Plasmodium falciparum aldo-keto reductase, putative 0.0222 0.2773 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0222 0.2773 0.2742
Echinococcus granulosus aldo keto reductase 0.0767 1 1
Mycobacterium tuberculosis Conserved protein 0.0222 0.2773 0.2731
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.003 0.0221 0.0164
Entamoeba histolytica hypothetical protein 0.0072 0.0785 0.0713
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0028 0.0196 0.0139
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0207 0.0169
Entamoeba histolytica hypothetical protein 0.0072 0.0785 0.0713
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.003 0.0221 0.0164
Onchocerca volvulus 0.0029 0.0207 0.0098
Toxoplasma gondii type I fatty acid synthase, putative 0.003 0.0221 0.0189
Brugia malayi Ets-domain containing protein 0.0071 0.077 0.0734
Schistosoma mansoni aldo-keto reductase 0.0767 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0767 1 1
Toxoplasma gondii small ubiquitin family modifier, putative 0.003 0.0226 0.0195
Loa Loa (eye worm) hypothetical protein 0.009 0.1017 0.1004
Loa Loa (eye worm) oxidoreductase 0.0767 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0222 0.2773 0.2717
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0222 0.2773 0.2764
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Leishmania major DNA polymerase eta, putative 0.0044 0.041 0.0334
Trypanosoma cruzi aldo/keto reductase, putative 0.0222 0.2773 0.2717
Entamoeba histolytica aldose reductase, putative 0.0767 1 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.017 0.2078 0.2052
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0222 0.2773 0.2717
Brugia malayi Ubiquitin-like protein SMT3 0.003 0.0226 0.0188
Schistosoma mansoni poly [ADP-ribose] polymerase 0.009 0.1017 0.0978
Loa Loa (eye worm) hypothetical protein 0.0025 0.0155 0.0142
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0078 0.0078
Leishmania major DNA polymerase eta, putative 0.0031 0.0237 0.016
Onchocerca volvulus 0.0053 0.0534 0.043
Trypanosoma brucei Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0021 0.0109 0.0109
Brugia malayi MH1 domain containing protein 0.0016 0.0043 0.0005
Mycobacterium tuberculosis Polyketide synthase Pks2 0.003 0.0221 0.0164
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0767 1 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0222 0.2773 0.2717
Echinococcus granulosus poly (ADP ribose) polymerase 0.0051 0.0499 0.0458
Plasmodium vivax small ubiquitin-related modifier, putative 0.003 0.0226 0.0272
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.041 0.0373
Trypanosoma brucei aldo/keto reductase, putative 0.0222 0.2773 0.2773
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0043 0.0397 0.0341
Entamoeba histolytica aldose reductase, putative 0.0767 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0545 0.7053 0.7036
Leishmania major hypothetical protein, conserved 0.0025 0.0155 0.0078
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0155 0.0078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0423 0.0381
Loa Loa (eye worm) SMO-1 protein 0.003 0.0226 0.0213
Brugia malayi WGR domain containing protein 0.009 0.1017 0.0982
Mycobacterium ulcerans hypothetical protein 0.0222 0.2773 0.2731
Echinococcus granulosus aldo keto reductase 0.0767 1 1
Onchocerca volvulus 0.0767 1 1
Trypanosoma brucei small ubiquitin-related modifier 0.003 0.0226 0.0226
Echinococcus multilocularis Small ubiquitin modifier 2 0.003 0.0226 0.0184
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.0196 0.0139
Trypanosoma cruzi Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0021 0.0109 0.0032
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0029 0.0207 0.015
Trichomonas vaginalis aldo/keto reductase, putative 0.0767 1 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0025 0.0163 0.012
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0043 0.003
Loa Loa (eye worm) hypothetical protein 0.0061 0.0633 0.062
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0423 0.041
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0767 1 1
Toxoplasma gondii aldo-keto reductase 0.0222 0.2773 0.275
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0222 0.2773 0.275
Brugia malayi hypothetical protein 0.0025 0.0155 0.0117
Giardia lamblia Aldose reductase 0.0767 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0222 0.2773 0.2717
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0029 0.0207 0.0193
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0767 1 1
Mycobacterium leprae Possible oxidoreductase 0.0222 0.2773 0.2731
Loa Loa (eye worm) hypothetical protein 0.0767 1 1
Leishmania major DNA repair protein, putative 0.0021 0.0109 0.0032
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0043 0.0397 0.0341
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0078 0.0035
Echinococcus granulosus dna polymerase eta 0.0044 0.041 0.0368
Echinococcus granulosus aldehyde reductase 0.0545 0.7053 0.704
Trypanosoma brucei unspecified product 0.0019 0.0078 0.0078
Echinococcus granulosus poly (ADP ribose) polymerase 0.0025 0.0163 0.012
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0767 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Brugia malayi MH2 domain containing protein 0.0016 0.0043 0.0005
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0785 0.0745
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0222 0.2773 0.2745
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.003 0.0226 0.0184
Echinococcus multilocularis aldo keto reductase 0.0767 1 1
Echinococcus granulosus poly ADP ribose polymerase 1 0.0163 0.1993 0.1958
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0078 0.002
Leishmania major small ubiquitin protein, putative 0.003 0.0226 0.0149
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.009 0.0058
Schistosoma mansoni hypothetical protein 0.0072 0.0785 0.0745
Giardia lamblia Aldose reductase 0.0767 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0472 0.0459
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0022 0.0116 0.0059
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Brugia malayi MH1 domain containing protein 0.0016 0.0043 0.0005
Leishmania major hypothetical protein, conserved 0.0021 0.0109 0.0032
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.0196 0.0139
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.077 0.0758
Onchocerca volvulus 0.0767 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0078 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0222 0.2773 0.2717
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Onchocerca volvulus Fatty acid synthase homolog 0.0055 0.056 0.0455
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0078 0.0035
Loa Loa (eye worm) oxidoreductase 0.0767 1 1
Onchocerca volvulus 0.0767 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0767 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0222 0.2773 1
Brugia malayi Smad1 0.0016 0.0043 0.0005
Echinococcus granulosus poly adp ribose polymerase 2 0.009 0.1017 0.0978
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0028 0.0196 0.0158
Loa Loa (eye worm) oxidoreductase 0.0767 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0222 0.2773 0.2717
Mycobacterium ulcerans polyketide synthase Pks13 0.0043 0.0397 0.0341
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0078 0.0065
Entamoeba histolytica ubiquitin like protein 0.003 0.0226 0.0149
Trichomonas vaginalis aldo-keto reductase, putative 0.0222 0.2773 0.2717
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0078 0.0078
Trichomonas vaginalis aldo/keto reductase, putative 0.0767 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0028 0.0196 0.0139
Loa Loa (eye worm) Smad1 0.0016 0.0043 0.003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0423 0.0381
Trichomonas vaginalis aldo-keto reductase, putative 0.0222 0.2773 0.2717
Toxoplasma gondii type I fatty acid synthase, putative 0.0022 0.0116 0.0084
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0055 0.056 0.0523
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Trypanosoma cruzi small ubiquitin protein, putative 0.003 0.0226 0.0149
Trypanosoma brucei prostaglandin f synthase 0.0767 1 1
Schistosoma mansoni aldo-keto reductase 0.0767 1 1
Echinococcus multilocularis dna polymerase eta 0.0044 0.041 0.0368
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0767 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0767 1 1
Echinococcus granulosus Small ubiquitin modifier 2 0.003 0.0226 0.0184
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0767 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0078 0.0078
Loa Loa (eye worm) MH2 domain-containing protein 0.024 0.3007 0.2998
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.077 0.073
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.003 0.0221 0.0164
Loa Loa (eye worm) oxidoreductase 0.0767 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0022 0.0121 0.0064
Mycobacterium leprae Polyketide synthase Pks13 0.0043 0.0397 0.0341
Echinococcus granulosus poly (ADP ribose) polymerase 0.0025 0.0163 0.012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0423 0.0381
Toxoplasma gondii aldose reductase, putative 0.0767 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0222 0.2773 0.275
Mycobacterium ulcerans thioesterase TesA 0.0026 0.0165 0.0108
Schistosoma mansoni DNA polymerase eta 0.0044 0.041 0.0368
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.0196 0.0139
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0767 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0017 0.0003
Trypanosoma cruzi small ubiquitin protein, putative 0.003 0.0226 0.0149
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0064 0.068 0.0668
Onchocerca volvulus 0.0222 0.2773 0.2693
Giardia lamblia Sentrin 0.003 0.0226 0.0149
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0026 0.0165 0.0108
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.003 0.0221 0.0164
Brugia malayi MH2 domain containing protein 0.024 0.3007 0.298
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0423 0.0381
Echinococcus multilocularis aldo keto reductase 0.0767 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0078 0.002
Brugia malayi MH2 domain containing protein 0.0016 0.0043 0.0005
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0767 1 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.003 0.0221 0.0164
Loa Loa (eye worm) fatty acid synthase 0.003 0.0228 0.0215
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.009 0.1017 0.0946
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0119 0.0061
Entamoeba histolytica hypothetical protein 0.0072 0.0785 0.0713
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0767 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0078 0.0035
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0078 0.004
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0155 0.0123
Brugia malayi Fli-1 protein 0.0216 0.2691 0.2663
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Mycobacterium ulcerans thioesterase 0.0026 0.0165 0.0108
Brugia malayi hypothetical protein 0.0072 0.0785 0.0749
Leishmania major aldo-keto reductase-like protein 0.0767 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.041 0.0334
Entamoeba histolytica hypothetical protein 0.0072 0.0785 0.0713
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Entamoeba histolytica hypothetical protein 0.0025 0.0163 0.0086
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0037 0.0324 0.0282
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0155 0.0078
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0155 0.0155
Schistosoma mansoni ets-related 0.0216 0.2691 0.2659
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0028 0.0196 0.0139
Brugia malayi WGR domain containing protein 0.0163 0.1993 0.1962
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0767 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0767 1 1
Mycobacterium ulcerans oxidoreductase 0.0767 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0767 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0222 0.2773 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0767 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0021 0.0109 0.0096
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.003 0.0221 0.0164
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0043 0.003
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0078 0.0856 0.0816
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0237 0.016
Echinococcus granulosus aldo keto reductase 0.0767 1 1
Leishmania major prostaglandin f synthase, putative 0.0767 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0767 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0078
Trypanosoma cruzi aldo-keto reductase 0.0767 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.55 uM Inhibitory concentration required against human cytomegalovirus (HCMV) expressed in HFF cells was determined by plaque reduction assay ChEMBL. 15509176
IC50 (functional) = 0.55 uM Inhibitory concentration required against human cytomegalovirus (HCMV) expressed in HFF cells was determined by plaque reduction assay ChEMBL. 15509175
IC50 (functional) = 32 uM Cytotoxicity produced in stationary HFF cells was determined by microscopic inspection of uninfected cells ChEMBL. 15509174
IC50 (functional) = 32 uM Cytotoxicity produced in stationary HFF cells was determined by microscopic inspection of uninfected cells ChEMBL. 15509176
IC50 (functional) = 32 uM Cytotoxicity produced in stationary HFF cells was determined by microscopic inspection of uninfected cells ChEMBL. 15509175

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15509175

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

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