Detailed information for compound 134778

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 838.215 | Formula: C50H39Cl3N2O4
  • H donors: 1 H acceptors: 2 LogP: 11.91 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@H]1[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O[C@H]1n1c(Cl)nc2c1cc(Cl)c(c2)Cl)COC(c1ccccc1)(c1ccccc1)c1ccccc1
  • InChi: 1S/C50H39Cl3N2O4/c51-40-31-42-43(32-41(40)52)55(48(53)54-42)47-45(56)46(59-50(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)44(58-47)33-57-49(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-32,44-47,56H,33H2/t44-,45?,46?,47-/m1/s1
  • InChiKey: JERUVCHUEBAPAD-OCXPPHIYSA-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
Loa Loa (eye worm) hypothetical protein 0.0049 0.0607 0.0675
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0108 0.1826 0.2021
Brugia malayi intermediate filament protein 0.0029 0.0201 0.0224
Brugia malayi phosphofructokinase 0.0129 0.2271 0.2529
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.4899 0.5423
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0607 0.0675
Loa Loa (eye worm) 6-phosphofructokinase 0.0129 0.2271 0.2529
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0024 0.0101 0.0113
Brugia malayi follicle stimulating hormone receptor 0.0453 0.8981 1
Giardia lamblia Kinase, PLK 0.0108 0.1826 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0024 0.0101 0.0112
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0724 1
Echinococcus multilocularis musashi 0.0029 0.0201 0.0222
Loa Loa (eye worm) hypothetical protein 0.0119 0.2052 0.2284
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.0224
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.0256 0.4899 0.5455
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0287 0.0319
Echinococcus granulosus FTZ F1 alpha 0.0021 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.0021 0.003 0.0033
Onchocerca volvulus 0.0079 0.1225 0.5969
Brugia malayi beta-lactamase family protein 0.0079 0.1225 0.1364
Schistosoma mansoni hypothetical protein 0.008 0.1252 0.4405
Schistosoma mansoni nuclear hormone receptor 0.0021 0.003 0.0105
Loa Loa (eye worm) hypothetical protein 0.0041 0.0451 0.0502
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0724 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.003 0.0033
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0108 0.1826 0.2021
Leishmania major hypothetical protein, conserved 0.0021 0.003 0.0058
Entamoeba histolytica phosphofructokinase, putative 0.0129 0.2271 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.1225 0.1364
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0129 0.2271 1
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1225 0.5392
Loa Loa (eye worm) hypothetical protein 0.0024 0.0101 0.0113
Echinococcus granulosus hyperpolarization activated cyclic 0.0024 0.0101 0.0112
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.003 0.0105
Mycobacterium ulcerans 6-phosphofructokinase 0.0129 0.2271 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.1014 0.1129
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1225 0.431
Loa Loa (eye worm) hypothetical protein 0.0079 0.1225 0.1364
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.003 0.0033
Onchocerca volvulus 0.0021 0.003 0.0146
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0108 0.1826 0.2033
Schistosoma mansoni inositol monophosphatase 0.0119 0.2051 0.7217
Brugia malayi serine/threonine-protein kinase plk-2 0.0108 0.1826 0.2033
Schistosoma mansoni hypothetical protein 0.0021 0.003 0.0105
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0319 0.2419
Brugia malayi Bromodomain containing protein 0.0037 0.0364 0.0405
Brugia malayi hypothetical protein 0.0035 0.0324 0.0361
Schistosoma mansoni hypothetical protein 0.0033 0.0287 0.101
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.1826 0.6426
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0312 0.0972
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0319 0.1003
Echinococcus multilocularis calcium activated potassium channel 0.002 0.0007 0.0008
Echinococcus multilocularis neuropeptide s receptor 0.0456 0.9033 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0319 0.1003
Schistosoma mansoni bromodomain containing protein 0.0061 0.0865 0.3043
Entamoeba histolytica hypothetical protein 0.008 0.1252 0.4778
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0316 0.035
Schistosoma mansoni 6-phosphofructokinase 0.0129 0.2271 0.7993
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.003 0.0033
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0319 0.1555
Loa Loa (eye worm) hypothetical protein 0.0021 0.003 0.0033
Echinococcus multilocularis hyperpolarization activated cyclic 0.0024 0.0101 0.0112
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.003 0.0033
Loa Loa (eye worm) 6-phosphofructokinase 0.0129 0.2271 0.2529
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0316 0.035
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1225 0.431
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0319 0.1003
Loa Loa (eye worm) hypothetical protein 0.0021 0.003 0.0033
Onchocerca volvulus 0.0079 0.1225 0.5969
Onchocerca volvulus 0.0021 0.003 0.0145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.003 0.0033
Echinococcus multilocularis inositol monophosphatase 1 0.0119 0.2051 0.227
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.1826 0.7948
Schistosoma mansoni voltage-gated potassium channel 0.0057 0.0786 0.2767
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.003 0.0033
Schistosoma mansoni hypothetical protein 0.0136 0.2408 0.8474
Schistosoma mansoni lamin 0.0029 0.0201 0.0707
Plasmodium vivax hypothetical protein, conserved 0.0079 0.1225 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0079 0.1225 0.1356
Echinococcus multilocularis 6 phosphofructokinase 0.0129 0.2271 0.2514
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0793 0.0878
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.003 0.0033
Schistosoma mansoni voltage-gated potassium channel 0.0024 0.0101 0.0356
Loa Loa (eye worm) hypothetical protein 0.0028 0.0172 0.0191
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0724 0.3189
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.003 0.0033
Brugia malayi Kringle domain containing protein 0.0021 0.003 0.0033
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1225 0.5177
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.003 0.0033
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0319 0.1555
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.003 0.0105
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0793 0.0878
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0136 0.2408 0.2665
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.003 0.0033
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0048 0.0053
Schistosoma mansoni hypothetical protein 0.002 0.001 0.0034
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.007 0.0248
Schistosoma mansoni lamin 0.0029 0.0201 0.0707
Echinococcus granulosus neuropeptide receptor A26 0.0456 0.9033 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.003 0.0033
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0079 0.1225 0.1364
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.2271 1
Echinococcus multilocularis sodium channel protein 0.0266 0.511 0.5657
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.003 0.0033
Brugia malayi hypothetical protein 0.0119 0.2052 0.2284
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0119 0.2051 0.7894
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0724 0.3532
Loa Loa (eye worm) hypothetical protein 0.0039 0.0413 0.0459
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.003 0.0105
Schistosoma mansoni voltage-gated potassium channel 0.0028 0.0172 0.0604
Brugia malayi beta-lactamase 0.0079 0.1225 0.1364
Schistosoma mansoni thyroid hormone receptor 0.0157 0.2841 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0319 0.2419
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0724 0.5813
Leishmania major hypothetical protein, conserved 0.0054 0.0724 0.1418
Schistosoma mansoni 60S ribosomal protein L21 0.0023 0.007 0.0248
Brugia malayi hypothetical protein 0.008 0.1252 0.1394
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.003 0.0033
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0028 0.0172 0.0191
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0319 0.1003
Brugia malayi 6-phosphofructokinase 0.0129 0.2271 0.2529
Brugia malayi Protein kinase domain containing protein 0.0021 0.003 0.0033
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0319 0.1003
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.003 0.0146
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0119 0.2051 0.4013
Loa Loa (eye worm) hypothetical protein 0.0079 0.1225 0.1364
Echinococcus granulosus voltage gated potassium channel 0.0028 0.0172 0.019
Schistosoma mansoni inositol monophosphatase 0.0119 0.2051 0.7217
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0024 0.0101 0.0356
Onchocerca volvulus 0.0052 0.0678 0.3303
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0108 0.1826 0.3573
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.003 0.0033
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0319 0.1555
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.1826 0.7948
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0266 0.511 0.5657
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0119 0.2051 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0028 0.0172 0.019
Entamoeba histolytica hypothetical protein 0.008 0.1252 0.4778
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.003 0.0033
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0129 0.2271 0.1192
Onchocerca volvulus Huntingtin homolog 0.0119 0.2052 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.003 0.0033
Trypanosoma brucei polo-like protein kinase 0.0108 0.1826 0.804
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0102 0.0113
Echinococcus granulosus neuropeptide s receptor 0.0456 0.9033 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0024 0.0101 0.0356
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.003 0.0033
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.008 0.1252 0.1386
Loa Loa (eye worm) hypothetical protein 0.0021 0.003 0.0033
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0119 0.2051 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.003 0.0033
Loa Loa (eye worm) PHD-finger family protein 0.002 0.001 0.0011
Loa Loa (eye worm) beta-lactamase 0.0079 0.1225 0.1364
Schistosoma mansoni 6-phosphofructokinase 0.0129 0.2271 0.7993
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.003 0.0033
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0054 0.0716 0.0797
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 0.1826 0.804
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0319 0.1003
Loa Loa (eye worm) hypothetical protein 0.0021 0.003 0.0033
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0119 0.2051 0.8984
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0319 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.0037 0.0365 0.0407
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.003 0.0033
Entamoeba histolytica hypothetical protein 0.008 0.1252 0.4778
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.003 0.0033
Leishmania major ATP-dependent phosphofructokinase 0.0129 0.2271 0.4444
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0024 0.0101 0.0112
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.003 0.0131
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0129 0.2271 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0724 0.0806
Loa Loa (eye worm) hypothetical protein 0.0029 0.019 0.0211
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.003 0.0146
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.07 0.2759
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 0.1826 0.804
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.1225 0.5392
Echinococcus granulosus hyperpolarization activated cyclic 0.0024 0.0101 0.0112
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1225 0.5177
Echinococcus granulosus calcium activated potassium channel 0.002 0.0007 0.0008
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.2271 1
Echinococcus granulosus intermediate filament protein 0.0029 0.0201 0.0222
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.003 0.0033
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0106 0.1793 0.5436
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0024 0.0101 0.0112
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0119 0.2051 0.903
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.07 0.2759
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.003 0.0033
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0319 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.003 0.0033
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.003 0.0033
Brugia malayi nuclear hormone receptor 0.0021 0.003 0.0033
Brugia malayi 6-phosphofructokinase 0.0129 0.2271 0.2529
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0201 0.0224
Onchocerca volvulus 0.0029 0.0201 0.0979
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.003 0.0033
Brugia malayi Cyclic-nucleotide gated cation channel 0.0024 0.0101 0.0113
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0136 0.2408 0.2665
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0453 0.8981 1
Echinococcus granulosus lamin dm0 0.0029 0.0201 0.0222
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.4899 0.5423
Entamoeba histolytica phosphofructokinase, putative 0.0129 0.2271 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0607 0.0675
Schistosoma mansoni intermediate filament proteins 0.0029 0.0201 0.0707
Brugia malayi Bromodomain containing protein 0.0073 0.1099 0.1224
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0724 0.3189
Brugia malayi nuclear receptor NHR-88 0.0021 0.003 0.0033
Trichomonas vaginalis inositol monophosphatase, putative 0.0119 0.2051 0.8984
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.003 0.0105
Echinococcus multilocularis thyroid hormone receptor alpha 0.0157 0.2841 0.3145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.003 0.0033
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0319 0.4162
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.2271 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0615 0.0684
Schistosoma mansoni coup transcription factor 0.0021 0.003 0.0105
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0048 0.0053
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.1826 0.7948
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1225 0.5177
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0119 0.2051 0.8871
Leishmania major hypothetical protein, conserved 0.0079 0.1225 0.2397
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0024 0.0101 0.0112
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.003 0.0105
Brugia malayi steroid hormone receptor 0.0021 0.003 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.1826 0.7948
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.008 0.1252 0.1386
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.003 0.0033
Echinococcus multilocularis lamin 0.0029 0.0201 0.0222
Loa Loa (eye worm) hypothetical protein 0.0079 0.1225 0.1364
Brugia malayi hypothetical protein 0.0054 0.0724 0.0806
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.003 0.0105
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0024 0.0101 0.0356
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0028 0.0172 0.019
Echinococcus granulosus inositol monophosphatase 1 0.0119 0.2051 0.227
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0054 0.0716 0.0797
Schistosoma mansoni voltage-gated potassium channel 0.0057 0.0786 0.2767
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0048 0.0169
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0024 0.0101 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.003 0.0033
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0607 0.0675
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0319 0.4162
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0129 0.2271 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.003 0.0033
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.003 0.0033
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1225 0.5177
Loa Loa (eye worm) inositol-1 0.0119 0.2051 0.2283
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0024 0.0101 0.0356
Brugia malayi beta-lactamase family protein 0.0079 0.1225 0.1364
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0024 0.0101 0.0112
Entamoeba histolytica phosphofructokinase, putative 0.0129 0.2271 1
Toxoplasma gondii ABC1 family protein 0.0079 0.1225 0.5972
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.003 0.0033
Schistosoma mansoni transcription factor LCR-F1 0.008 0.1252 0.4405
Echinococcus multilocularis lamin dm0 0.0029 0.0201 0.0222
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0119 0.2051 0.8984
Schistosoma mansoni hypothetical protein 0.0024 0.0102 0.036
Echinococcus multilocularis neuropeptide receptor A26 0.0456 0.9033 1
Brugia malayi Inositol-1 0.0119 0.2051 0.2283
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0119 0.2051 0.903
Loa Loa (eye worm) hypothetical protein 0.0033 0.0287 0.0319
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0201 0.0224
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0054 0.0716 0.0793
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.003 0.0033
Onchocerca volvulus Serine\/threonine kinase homolog 0.0108 0.1826 0.8899
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0024 0.0101 0.0112
Schistosoma mansoni thyroid hormone receptor 0.0157 0.2841 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0024 0.0101 0.0356
Loa Loa (eye worm) phosphofructokinase 0.0129 0.2271 0.2529
Schistosoma mansoni voltage-gated potassium channel 0.0028 0.0172 0.0604
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.003 0.0033
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0678 0.0755
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.003 0.0146
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.003 0.0033
Brugia malayi PHD-finger family protein 0.0024 0.0095 0.0106
Echinococcus granulosus lamin 0.0029 0.0201 0.0222
Brugia malayi hypothetical protein 0.0256 0.4899 0.5455
Schistosoma mansoni kinase 0.0055 0.0729 0.2567
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.2271 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.1225 0.1364
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.003 0.0033
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0079 0.1225 0.1364
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.003 0.0105
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.003 0.0105
Echinococcus granulosus 6 phosphofructokinase 0.0129 0.2271 0.2514
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.1826 0.7948
Loa Loa (eye worm) hypothetical protein 0.0021 0.003 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.003 0.0033
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0102 0.0113
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1225 0.5177
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.1826 0.7948
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0024 0.0101 0.0112
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0129 0.2271 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0108 0.1826 0.772
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0266 0.511 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.2052 0.2284
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.003 0.0033
Brugia malayi ecdysteroid receptor 0.0021 0.003 0.0033
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0201 0.0224
Toxoplasma gondii kringle domain-containing protein 0.0021 0.003 0.0145
Entamoeba histolytica hypothetical protein 0.008 0.1252 0.4778
Echinococcus granulosus sodium channel protein 0.0266 0.511 0.5657
Schistosoma mansoni hypothetical protein 0.0052 0.0678 0.2385
Schistosoma mansoni survival motor neuron protein 0.0052 0.0678 0.2385
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0054 0.0716 0.0793
Onchocerca volvulus 0.0029 0.0201 0.0979
Loa Loa (eye worm) hypothetical protein 0.0021 0.003 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.003 0.0033
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0312 0.0972
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.003 0.0033
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0724 0.3189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.003 0.0033
Echinococcus multilocularis hyperpolarization activated cyclic 0.0024 0.0101 0.0112
Echinococcus multilocularis beta LACTamase domain containing family member 0.0079 0.1225 0.1356
Loa Loa (eye worm) hypothetical protein 0.0079 0.1225 0.1364
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0028 0.0172 0.019
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1225 0.5392
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.003 0.0105
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0106 0.1793 0.0648
Onchocerca volvulus 0.0079 0.1225 0.5969
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.003 0.0033
Trichomonas vaginalis esterase, putative 0.0079 0.1225 0.5177
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.1826 0.7948
Loa Loa (eye worm) hypothetical protein 0.0021 0.003 0.0033
Onchocerca volvulus Huntingtin homolog 0.0119 0.2052 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0119 0.2051 0.903
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0319 0.1003

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 10 uM Compound was tested for antiviral activity against human cytomegalovirus (HCMV) by plaque reduction assay using HFF cells ChEMBL. 10882375
IC50 (functional) > 100 uM Compound was tested for antiviral activity against herpes simplex virus type 1 (HSV-1) ChEMBL. 10882375
IC50 (functional) > 100 uM Compound was tested for visual cytotoxicity on human foreskin fibroblasts (HFF) cells ChEMBL. 10882375
IC50 (functional) > 100 uM Compound was tested for inhibition activity of human oral carcinoma cell line (KB ) cells in quadruplicate assay. ChEMBL. 10882375

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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