Detailed information for compound 184315

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.389 | Formula: C20H22Tc
  • H donors: 0 H acceptors: 0 LogP: 5.96 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc2c(c1)C(CCC2)[Tc]C1CCCc2c1cccc2
  • InChi: 1S/2C10H11.Tc/c2*1-2-6-10-8-4-3-7-9(10)5-1;/h2*1-2,5-7H,3-4,8H2;
  • InChiKey: XZORXPVJSHOGTM-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
Trichomonas vaginalis chromobox protein, putative 0.0065 0.0372 0.2192
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.009 0.054 0.0832
Onchocerca volvulus 0.0052 0.0278 0.0749
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0017 0.0039 0.0056
Schistosoma mansoni hypothetical protein 0.0305 0.2027 0.313
Loa Loa (eye worm) hypothetical protein 0.0029 0.0119 0.0138
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0949 0.6471 0.6468
Schistosoma mansoni unc-13 (munc13) 0.0115 0.0716 0.1104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0046 0.0025
Loa Loa (eye worm) transcription factor SMAD2 0.0103 0.0631 0.0932
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0115 0.0716 0.1104
Loa Loa (eye worm) hypothetical protein 0.009 0.054 0.0792
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0017 0.0039 0.0029
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0084 0.0076
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0025
Loa Loa (eye worm) latrophilin receptor protein 2 0.0028 0.0117 0.0134
Echinococcus multilocularis dna polymerase eta 0.0017 0.0036 0.0026
Brugia malayi glutaminase DH11.1 0.0257 0.1693 0.2613
Schistosoma mansoni cpg binding protein 0.0052 0.0278 0.0426
Schistosoma mansoni methyl-cpg binding protein mbd 0.0031 0.0133 0.0201
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0031 0.0034
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0949 0.6471 0.6468
Trichomonas vaginalis chromobox protein, putative 0.0039 0.0193 0.1132
Brugia malayi Bromodomain containing protein 0.0138 0.0873 0.1346
Brugia malayi Protein kinase domain containing protein 0.0053 0.0288 0.0441
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0949 0.6471 0.6468
Echinococcus multilocularis protein dispatched 1 0.0087 0.052 0.0511
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0043 0.0245
Brugia malayi Furin-like cysteine rich region family protein 0.0166 0.1069 0.1649
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0084 0.0064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0217 0.0332
Onchocerca volvulus Protein ultraspiracle homolog 0.0018 0.0046 0.0119
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0053 0.0288 0.0431
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0037 0.0174 0.0467
Echinococcus multilocularis isocitrate dehydrogenase 0.0949 0.6471 0.6468
Loa Loa (eye worm) glutaminase 0.0257 0.1693 0.2581
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0036 0.0055
Echinococcus multilocularis cpg binding protein 0.0058 0.0322 0.0313
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0046 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0043 0.0245
Brugia malayi nuclear hormone receptor 0.0018 0.0046 0.0068
Onchocerca volvulus Cell death protein 3 homolog 0.0027 0.0105 0.0278
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0016 0.003 0.0043
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0025
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.0038 0.0215
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0046 0.0037
Loa Loa (eye worm) CXXC zinc finger family protein 0.0052 0.0278 0.0384
Schistosoma mansoni terminal deoxycytidyl transferase 0.0017 0.0036 0.0051
Echinococcus granulosus caspase 2 0.0027 0.0105 0.0147
Schistosoma mansoni niemann-pick C1 (NPC1) 0.018 0.1163 0.1795
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0076 0.0437
Loa Loa (eye worm) hypothetical protein 0.0027 0.0105 0.0115
Schistosoma mansoni topbp1 0.0018 0.0043 0.0063
Echinococcus granulosus Protein patched homolog 1 0.0076 0.0446 0.0675
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0115 0.0716 0.1104
Echinococcus multilocularis aryl hydrocarbon receptor 0.0023 0.0077 0.0068
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0046 0.0068
Loa Loa (eye worm) isocitrate dehydrogenase 0.0949 0.6471 1
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.0046 0.0068
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0.0036 0.0008
Loa Loa (eye worm) hypothetical protein 0.0032 0.0141 0.0171
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.011 0.0683 0.0674
Schistosoma mansoni DNA polymerase eta 0.0017 0.0036 0.0051
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0115 0.0716 1
Schistosoma mansoni glutaminase 0.0257 0.1693 0.2613
Schistosoma mansoni hypothetical protein 0.0305 0.2027 0.313
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0115 0.0716 0.1058
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0025
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0076 0.0446 0.0645
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0018 0.0043 0.0245
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.0046 0.0068
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0046 0.0057
Trichomonas vaginalis chromobox protein, putative 0.0039 0.0193 0.1132
Loa Loa (eye worm) TK/INSR protein kinase 0.0053 0.0288 0.04
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0046 0.0057
Echinococcus multilocularis expressed conserved protein 0.0167 0.107 0.1062
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0036 0.0051
Schistosoma mansoni hypothetical protein 0.0028 0.0117 0.0177
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0141 0.0213
Brugia malayi PHD-finger family protein 0.0048 0.0251 0.0384
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0076 0.0437
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Schistosoma mansoni hypothetical protein 0.0028 0.0117 0.0177
Leishmania major isocitrate dehydrogenase, putative 0.0115 0.0716 0.1058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0046 0.0025
Toxoplasma gondii isocitrate dehydrogenase 0.0949 0.6471 1
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0115 0.0716 0.1094
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0046 0.0057
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0053 0.0288 0.0279
Echinococcus granulosus apoptotic protease activating factor 1 0.0027 0.0105 0.0147
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0046 0.0068
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0046 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0046 0.0068
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0193 0.0519
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0043 0.0245
Schistosoma mansoni hypothetical protein 0.0073 0.0427 0.0656
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0115 0.0716 1
Brugia malayi DKFZp564C0469 protein 0.0018 0.0043 0.0063
Loa Loa (eye worm) PHD-finger family protein 0.0037 0.0177 0.0228
Loa Loa (eye worm) hypothetical protein 0.0127 0.08 0.1195
Loa Loa (eye worm) glutaminase 2 0.0257 0.1693 0.2581
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.0217 0.029
Echinococcus multilocularis caspase 2 0.0027 0.0105 0.0095
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Entamoeba histolytica hypothetical protein 0.0065 0.0368 0.2997
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0065 0.0368 0.0359
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.0217 0.0332
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.011 0.0683 0.1043
Echinococcus granulosus insulin receptor 0.0053 0.0288 0.0431
Echinococcus granulosus sterol regulatory element binding protein 0.0076 0.0446 0.0675
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0217 0.0332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0046 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0076 0.0437
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0046 0.0025
Loa Loa (eye worm) hypothetical protein 0.0024 0.0084 0.0084
Loa Loa (eye worm) histone methyltransferase 0.0016 0.0031 0.0001
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0076 0.0437
Brugia malayi Probable isocitrate dehydrogenase 0.0115 0.0716 0.1104
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0076 0.0437
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0013 0.001 0.0011
Schistosoma mansoni chromosome transmission fidelity factor 0.0018 0.0043 0.0063
Schistosoma mansoni transcription factor LCR-F1 0.0065 0.0368 0.0565
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0177 0.1145 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0017 0.0036 0.0201
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0046 0.0025
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0949 0.6471 1
Brugia malayi Latrophilin receptor protein 2 0.0028 0.0117 0.0177
Brugia malayi hypothetical protein 0.0027 0.0105 0.0158
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0017 0.0036 0.0051
Schistosoma mansoni hypothetical protein 0.0028 0.0111 0.0168
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0949 0.6471 1
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0046 0.0068
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0018 0.0043 0.0068
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0076 0.0437
Brugia malayi steroid hormone receptor 0.0018 0.0046 0.0068
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0016 0.003 0.0043
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0023 0.0077 0.0073
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0031 0.0022
Echinococcus multilocularis zinc finger protein 0.0038 0.0185 0.0175
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0217 0.0322
Echinococcus granulosus nibrin 0.0018 0.0043 0.0052
Brugia malayi hypothetical protein 0.0016 0.003 0.0043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0046 0.0037
Entamoeba histolytica hypothetical protein 0.0065 0.0368 0.2997
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0046 0.0025
Loa Loa (eye worm) pigment dispersing factor receptor c 0.009 0.054 0.0792
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0217 0.0208
Onchocerca volvulus 0.0018 0.0043 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0446 0.2627
Trypanosoma brucei DNA polymerase eta, putative 0.0017 0.0036 0.0055
Echinococcus granulosus chromobox protein 1 0.0065 0.0372 0.0562
Toxoplasma gondii ATPase, AAA family protein 0.0018 0.0043 0.00000053758
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.002
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0046 0.0037
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0046 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0046 0.0068
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0036 0.0051
Leishmania major hypothetical protein, conserved 0.0024 0.0084 0.0076
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0174 0.1019
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0025
Brugia malayi Niemann-Pick C1 protein precursor 0.0177 0.1145 0.1766
Echinococcus granulosus dna polymerase eta 0.0017 0.0036 0.004
Echinococcus multilocularis 0.0052 0.0276 0.0267
Schistosoma mansoni hypothetical protein 0.0037 0.0177 0.027
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0046 0.0068
Loa Loa (eye worm) hypothetical protein 0.0037 0.0174 0.0223
Echinococcus multilocularis GPCR, family 2 0.0028 0.0117 0.0107
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.002
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0036 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0046 0.0068
Echinococcus granulosus dnaJ subfamily B 0.0737 0.5005 0.7731
Schistosoma mansoni tyrosine kinase 0.0088 0.0531 0.0817
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0084 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0046 0.0068
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.0046 0.0068
Brugia malayi isocitrate dehydrogenase 0.0949 0.6471 1
Leishmania major hypothetical protein, conserved 0.0028 0.0111 0.0117
Trichomonas vaginalis glutaminase, putative 0.0257 0.1693 1
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0046 0.0068
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0141 0.0131
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0018 0.0043 0.0067
Schistosoma mansoni caspase-7 (C14 family) 0.0027 0.0105 0.0158
Brugia malayi hypothetical protein 0.0016 0.003 0.0043
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0115 0.0716 0.1104
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0018 0.0043 0.0063
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0028 0.0117 0.0166
Brugia malayi topoisomerase 0.0018 0.0043 0.0063
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0367 0.0554
Schistosoma mansoni chromobox protein 0.0065 0.0372 0.0572
Schistosoma mansoni hypothetical protein 0.0073 0.0427 0.0656
Schistosoma mansoni bromodomain containing protein 0.0117 0.0728 0.1121
Schistosoma mansoni hypothetical protein 0.0021 0.0066 0.0098
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0017 0.0039 0.0045
Trypanosoma cruzi ISWI complex protein 0.0028 0.0111 0.0117
Loa Loa (eye worm) hypothetical protein 0.0027 0.0105 0.0115
Onchocerca volvulus 0.0018 0.0046 0.0119
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0115 0.0716 0.1104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0141 0.0213
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0025
Echinococcus granulosus Niemann Pick C1 protein 0.0253 0.167 0.2569
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0046 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0046 0.0025
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0028 0.0117 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0043 0.0245
Echinococcus multilocularis chromobox protein 1 0.0065 0.0372 0.0363
Echinococcus multilocularis Niemann Pick C1 protein 0.0177 0.1145 0.1136
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0018 0.0046 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.01 0.0582
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0046 0.0057
Loa Loa (eye worm) MH2 domain-containing protein 0.0103 0.0631 0.0932
Brugia malayi Pax transcription activation domain interacting protein 0.0018 0.0043 0.0063
Brugia malayi nuclear receptor NHR-88 0.0018 0.0046 0.0068
Trichomonas vaginalis DNA polymerase eta, putative 0.0017 0.0036 0.0201
Echinococcus multilocularis apoptotic protease activating factor 1 0.0027 0.0105 0.0095
Echinococcus granulosus epidermal growth factor receptor 0.0089 0.0538 0.0818
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0044 0.0221 0.0212
Schistosoma mansoni hypothetical protein 0.0737 0.5005 0.7733
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0949 0.6471 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0115 0.0716 0.1065
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0018 0.0043 0.0012
Schistosoma mansoni cpg binding protein 0.0058 0.0322 0.0494
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0031 0.0133 0.0123
Echinococcus multilocularis nibrin 0.0018 0.0043 0.0034
Loa Loa (eye worm) hypothetical protein 0.0177 0.1145 0.173
Loa Loa (eye worm) hypothetical protein 0.008 0.0471 0.0685
Toxoplasma gondii isocitrate dehydrogenase 0.0949 0.6471 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0028 0.0117 0.0166
Loa Loa (eye worm) TK/EGFR protein kinase 0.0166 0.1069 0.1613
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.0046 0.0068
Chlamydia trachomatis DNA ligase 0.0018 0.0043 0.5
Brugia malayi Cell death protein 3 precursor 0.0027 0.0105 0.0158
Echinococcus multilocularis chromobox protein 1 0.0065 0.0372 0.0363
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0044 0.0221 0.0338
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0115 0.0716 0.1094
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0046 0.0037
Schistosoma mansoni hypothetical protein 0.0061 0.0344 0.0529
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0217 0.0208
Schistosoma mansoni cpg binding protein 0.0058 0.0322 0.0494
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0046 0.0057
Brugia malayi hypothetical protein 0.0065 0.0368 0.0565
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.0046 0.0068
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0025
Loa Loa (eye worm) hypothetical protein 0.0061 0.0344 0.0488
Loa Loa (eye worm) hypothetical protein 0.0028 0.0117 0.0134
Schistosoma mansoni hypothetical protein 0.0028 0.0117 0.0177
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0016 0.003 0.0043
Schistosoma mansoni coup transcription factor 0.0018 0.0046 0.0068
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0141 0.0203
Brugia malayi CXXC zinc finger family protein 0.0052 0.0278 0.0426
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.0046 0.0068
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0028 0.0117 0.0107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0046 0.0025
Trypanosoma cruzi FHA domain containing protein, putative 0.0018 0.0043 0.0012
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0018 0.0043 0.0245
Brugia malayi Isocitrate dehydrogenase 0.0949 0.6471 1
Schistosoma mansoni zinc finger protein 0.0038 0.0185 0.0281
Loa Loa (eye worm) hypothetical protein 0.0076 0.0446 0.0645
Onchocerca volvulus 0.0029 0.0119 0.0318
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0016 0.003 0.0043
Schistosoma mansoni chromobox protein 0.0065 0.0372 0.0572
Echinococcus multilocularis insulin receptor 0.0053 0.0288 0.0279
Echinococcus granulosus Niemann Pick C1 protein 0.0177 0.1145 0.1757
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0084 0.0064
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0018 0.0043 0.0245
Onchocerca volvulus 0.0023 0.0077 0.0203
Treponema pallidum DNA ligase (lig) 0.0018 0.0043 0.5
Trypanosoma cruzi ISWI complex protein 0.0028 0.0111 0.0117
Loa Loa (eye worm) hypothetical protein 0.0093 0.0564 0.0829
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0046 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Echinococcus granulosus geminin 0.0305 0.2027 0.3122
Mycobacterium ulcerans glutaminase 0.0257 0.1693 1
Schistosoma mansoni topbp1 0.0018 0.0043 0.0063
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0089 0.0538 0.0818
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0043 0.0012
Echinococcus granulosus cpg binding protein 0.0058 0.0322 0.0483
Echinococcus granulosus aryl hydrocarbon receptor 0.0023 0.0077 0.0105
Schistosoma mansoni hypothetical protein 0.0028 0.0117 0.0177
Echinococcus multilocularis sterol regulatory element binding protein 0.0076 0.0446 0.0437
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0115 0.0716 0.4226
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0046 0.0068
Brugia malayi hypothetical protein 0.0018 0.0043 0.0063
Trypanosoma brucei ISWI complex protein 0.0028 0.0111 0.0172
Echinococcus multilocularis Niemann Pick C1 protein 0.0253 0.167 0.1662
Brugia malayi MH2 domain containing protein 0.0103 0.0631 0.0971
Echinococcus multilocularis epidermal growth factor receptor 0.0089 0.0538 0.0529
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0065 0.0368 0.0555
Schistosoma mansoni hypothetical protein 0.0073 0.0427 0.0656
Schistosoma mansoni tyrosine kinase 0.0166 0.1069 0.1649
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.002
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.0046 0.0068
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0949 0.6471 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0046 0.0037
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0046 0.0037
Echinococcus multilocularis dna polymerase kappa 0.0017 0.0036 0.0026
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0018 0.0043 0.0245
Brugia malayi ecdysteroid receptor 0.0018 0.0046 0.0068
Echinococcus granulosus methyl CpG binding domain protein 2 0.0031 0.0133 0.0191
Onchocerca volvulus Protein cycle homolog 0.0016 0.003 0.0076
Entamoeba histolytica hypothetical protein 0.0065 0.0368 0.2997
Entamoeba histolytica hypothetical protein 0.0018 0.0043 0.0068
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0043 0.0012
Schistosoma mansoni tyrosine kinase 0.0088 0.0531 0.0817
Echinococcus granulosus zinc finger protein 0.0038 0.0185 0.0271
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0949 0.6471 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Echinococcus multilocularis replication factor c subunit 1 0.0018 0.0043 0.0034
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0949 0.6471 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0046 0.0057
Echinococcus multilocularis geminin 0.0305 0.2027 0.2019
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0084 0.0076
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0115 0.0716 0.0708
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0018 0.0043 0.0046
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.0046 0.0068
Schistosoma mansoni zinc finger protein 0.0028 0.0111 0.0168
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0046 0.0057
Schistosoma mansoni methyl-cpg binding protein mbd 0.0031 0.0133 0.0201
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0046 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0046 0.0068
Schistosoma mansoni tyrosine kinase 0.0089 0.0538 0.0827
Trichomonas vaginalis replication factor C large subunit, putative 0.0018 0.0043 0.0245
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0017 0.0036 0.0026
Echinococcus granulosus GPCR family 2 0.0028 0.0117 0.0166
Echinococcus granulosus epidermal growth factor receptor 0.0166 0.1069 0.164
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0025
Loa Loa (eye worm) hypothetical protein 0.0544 0.3677 0.5662
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0046 0.0068
Schistosoma mansoni hypothetical protein 0.0027 0.0105 0.0158
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0046 0.0068
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0367 0.0358
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0115 0.0716 0.0708
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0046 0.0068
Echinococcus multilocularis epidermal growth factor receptor 0.0166 0.1069 0.1061
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0217 0.0322
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0016 0.0032 0.018
Schistosoma mansoni tyrosine kinase 0.0089 0.0538 0.0827
Brugia malayi Bromodomain containing protein 0.0069 0.0397 0.061
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0115 0.0716 0.4108
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0949 0.6471 1
Trichomonas vaginalis chromobox protein, putative 0.0065 0.0372 0.2192
Onchocerca volvulus Bile acid receptor homolog 0.0018 0.0046 0.0119
Brugia malayi chromobox protein homolog 3 0.0037 0.0174 0.0265
Loa Loa (eye worm) hypothetical protein 0.0023 0.0077 0.0073
Loa Loa (eye worm) CHromoDomain protein family member 0.0017 0.0039 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Brugia malayi CHE-14 protein 0.0076 0.0446 0.0686
Brugia malayi latrophilin 2 splice variant baaae 0.0061 0.0344 0.0529
Brugia malayi hypothetical protein 0.0015 0.0026 0.0037
Loa Loa (eye worm) hypothetical protein 0.0115 0.0716 0.1065
Brugia malayi Probable isocitrate dehydrogenase 0.0115 0.0716 0.1104
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0949 0.6471 0.6468
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0038 0.0215
Loa Loa (eye worm) hypothetical protein 0.0069 0.0398 0.057
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0174 0.1019
Brugia malayi hypothetical protein 0.0023 0.0077 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0046 0.0068
Entamoeba histolytica tartrate dehydrogenase, putative 0.0115 0.0716 0.6139
Echinococcus granulosus fetal alzheimer antigen falz 0.0044 0.0221 0.0328
Schistosoma mansoni DNA ligase IV 0.0018 0.0043 0.0063
Loa Loa (eye worm) heterochromatin protein 1 0.0065 0.0372 0.0531
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0949 0.6471 1
Brugia malayi CHD4 protein 0.0017 0.0039 0.0056
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0017 0.0036 0.004
Schistosoma mansoni hypothetical protein 0.0073 0.0427 0.0656
Schistosoma mansoni tyrosine kinase 0.0053 0.0288 0.0441
Giardia lamblia Replication factor C, subunit 1 0.0018 0.0043 1
Brugia malayi hypothetical protein 0.0018 0.0043 0.0063
Brugia malayi Heterochromatin protein 1 0.0065 0.0372 0.0572
Onchocerca volvulus 0.0027 0.0105 0.0278
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0046 0.0057
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0036 0.0055
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0025
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0084 0.0064
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0084 0.013
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0008
Echinococcus multilocularis dnaJ subfamily B 0.0737 0.5005 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0102 0.0627 0.0908
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0076 0.0437
Schistosoma mansoni tyrosine kinase 0.0088 0.0531 0.0817
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0036 0.0055
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0046 0.0037
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0043 0.0245
Echinococcus multilocularis protein patched 0.0076 0.0446 0.0437
Onchocerca volvulus 0.0544 0.3677 1
Echinococcus granulosus replication factor c subunit 1 0.0018 0.0043 0.0052
Brugia malayi hypothetical protein 0.0544 0.3677 0.5681
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0949 0.6471 1
Schistosoma mansoni tyrosine kinase 0.0053 0.0288 0.0441
Echinococcus granulosus expressed conserved protein 0.0167 0.107 0.1642
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0028 0.0117 0.0177
Schistosoma mansoni mixed-lineage leukemia protein mll 0.011 0.0678 0.1044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0217 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0046 0.0068
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0076 0.0437
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.002
Echinococcus granulosus dna polymerase kappa 0.0017 0.0036 0.004
Loa Loa (eye worm) bromodomain containing protein 0.0032 0.014 0.0171
Trypanosoma brucei unspecified product 0.0017 0.0036 0.0055
Brugia malayi Calcitonin receptor-like protein seb-1 0.009 0.054 0.0832
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0046 0.0068
Schistosoma mansoni patched 1 0.0076 0.0446 0.0686
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0054 0.0079
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0949 0.6471 1
Entamoeba histolytica hypothetical protein 0.0065 0.0368 0.2997
Brugia malayi hypothetical protein 0.0024 0.0084 0.0126
Loa Loa (eye worm) hypothetical protein 0.0073 0.0427 0.0616
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.01 0.0582
Schistosoma mansoni hypothetical protein 0.0065 0.0368 0.0565
Echinococcus granulosus chromobox protein 1 0.0065 0.0372 0.0562
Schistosoma mansoni isocitrate dehydrogenase 0.0115 0.0716 0.1104

Activities

Activity type Activity value Assay description Source Reference
Dose/g (ADMET) = 0.24 % Biodistribution of compound in rat blood after 5 min of administration. ChEMBL. 1956047
Dose/g (ADMET) = 0.51 % Biodistribution of compound in rat muscle after 5 min of administration. ChEMBL. 1956047
Dose/g (ADMET) = 0.65 % Biodistribution of compound in rat liver after 5 min of administration. ChEMBL. 1956047
Dose/g (ADMET) = 1 % Biodistribution of compound in rat lung after 5 min of administration. ChEMBL. 1956047
Dose/g (ADMET) = 2.6 % Biodistribution of compound in rat heart after 5 min of administration. ChEMBL. 1956047
Dose/g (ADMET) = 9.1 % Biodistribution of compound in rat kidney after 5 min of administration. ChEMBL. 1956047
Plasma binding (ADMET) = 5.8 % The compound was tested for the plasma binding in rat ChEMBL. 1956047
Plasma binding (ADMET) = 51 % Plasma protein binding (human) ChEMBL. 1956047

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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