Detailed information for compound 509940

Basic information

Technical information
  • TDR Targets ID: 509940
  • Name: 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenox y]-N-(2-chloro-4-sulfamoylphenyl)acetamide
  • MW: 526.777 | Formula: C21H14Cl3N3O5S
  • H donors: 2 H acceptors: 4 LogP: 4.49 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1cc(cc(c1)Cl)Oc1cc(OCC(=O)Nc2ccc(cc2Cl)S(=O)(=O)N)ccc1Cl
  • InChi: 1S/C21H14Cl3N3O5S/c22-13-5-12(10-25)6-15(7-13)32-20-8-14(1-3-17(20)23)31-11-21(28)27-19-4-2-16(9-18(19)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)
  • InChiKey: MZVNNERAAYHFPD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-chloro-3-(3-chloro-5-cyano-phenoxy)phenoxy]-N-(2-chloro-4-sulfamoyl-phenyl)acetamide
  • 2-[4-chloro-3-(3-chloro-5-cyano-phenoxy)phenoxy]-N-(2-chloro-4-sulfamoyl-phenyl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Reverse transcriptase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 208 aa 26.4 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 222 aa 22.5 %
Candida albicans ReverseTranscriptase similar to fruit fly Tom element Reverse transcriptase   259 aa 244 aa 27.9 %
Candida albicans polyprotein of retrotransposon Tca8 Reverse transcriptase   259 aa 238 aa 26.5 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 227 aa 26.4 %
Trypanosoma congolense Retroviral aspartyl protease/Reverse transcriptase (RNA-dependent DNA polymerase)/RNase H, putative Reverse transcriptase   259 aa 237 aa 29.1 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 227 aa 26.4 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 226 aa 24.3 %
Candida albicans hypothetical protein Reverse transcriptase   259 aa 223 aa 29.1 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 245 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0049 0.1414 0.1414
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0055 0.1681 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0734 0.0734
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.217 0.217
Loa Loa (eye worm) hypothetical protein 0.0044 0.1225 0.1225
Schistosoma mansoni hypothetical protein 0.0019 0.027 0.0291
Toxoplasma gondii ribonuclease HI protein 0.0023 0.0404 0.0763
Echinococcus granulosus tar DNA binding protein 0.0065 0.2046 0.2046
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0734 0.0734
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0642 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0055 0.1681 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0309 0.1039
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0734 0.3001
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0015 0.0095 0.0095
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0642 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.028 0.028
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0642 0.2968
Loa Loa (eye worm) hypothetical protein 0.017 0.6142 0.6142
Schistosoma mansoni nuclear receptor 0.0015 0.0095 0.0102
Echinococcus multilocularis lamin dm0 0.0028 0.0598 0.0598
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0734 0.079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0734 0.0734
Brugia malayi RNase H family protein 0.0023 0.0404 0.0404
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0309 0.0000000028703
Echinococcus granulosus Nuclear hormone receptor HR96 0.0015 0.0095 0.0095
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0642 0.2968
Brugia malayi Bromodomain containing protein 0.0085 0.2847 0.2847
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0734 0.0734
Trypanosoma brucei ribonuclease H1 0.0023 0.0404 0.0221
Onchocerca volvulus 0.0075 0.2446 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0598 0.0643
Brugia malayi nuclear receptor RXR 0.0016 0.0164 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0734 0.0734
Schistosoma mansoni lamin 0.0028 0.0598 0.0643
Echinococcus granulosus ribonuclease H1 0.0023 0.0404 0.0404
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2046 0.22
Schistosoma mansoni zinc finger protein 0.0017 0.0203 0.0218
Loa Loa (eye worm) hypothetical protein 0.0016 0.0164 0.0164
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0598 0.0598
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0129 0.4535 0.4535
Trypanosoma brucei unspecified product 0.0028 0.0625 0.0464
Echinococcus multilocularis thyroid hormone receptor alpha 0.016 0.5744 0.5744
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0734 0.079
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0164 0.0176
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0309 0.0309
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0642 1
Onchocerca volvulus 0.0028 0.0598 0.2445
Brugia malayi Bromodomain containing protein 0.0044 0.1221 0.1221
Loa Loa (eye worm) nuclear hormone receptor 0.0015 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.017 0.6142 0.6142
Echinococcus granulosus lamin dm0 0.0028 0.0598 0.0598
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.1553 0.1553
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0015 0.0095 0.0389
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0055 0.1681 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0734 0.0734
Schistosoma mansoni phosphoglucomutase 0.0023 0.0404 0.0434
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.027 0.027
Echinococcus granulosus intermediate filament protein 0.0028 0.0598 0.0598
Echinococcus multilocularis survival motor neuron protein 1 0.027 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0015 0.0095 0.0095
Loa Loa (eye worm) DR-78 0.0015 0.0095 0.0095
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0625 0.0464
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0734 0.079
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0164 0.0164
Schistosoma mansoni phosphoglucomutase 0.0023 0.0404 0.0434
Onchocerca volvulus 0.0028 0.0598 0.2445
Schistosoma mansoni nuclear hormone receptor 0.0015 0.0095 0.0102
Schistosoma mansoni hypothetical protein 0.0193 0.7031 0.7563
Brugia malayi ecdysteroid receptor 0.0031 0.0734 0.0734
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0642 0.2675
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.1553 0.1553
Schistosoma mansoni coup transcription factor 0.0031 0.0734 0.079
Echinococcus multilocularis tar DNA binding protein 0.0065 0.2046 0.2046
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0734 0.0734
Schistosoma mansoni loxhd1 0.0019 0.027 0.0291
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0734 0.0734
Loa Loa (eye worm) hypothetical protein 0.0028 0.0598 0.0598
Loa Loa (eye worm) hypothetical protein 0.0016 0.0164 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0734 0.0734
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0734 0.3001
Echinococcus granulosus muscleblind protein 0.017 0.6142 0.6142
Brugia malayi nuclear hormone receptor 0.0015 0.0095 0.0095
Echinococcus granulosus jun protein 0.0096 0.3245 0.3245
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.1553 0.9062
Loa Loa (eye worm) hypothetical protein 0.0031 0.0734 0.0734
Schistosoma mansoni nuclear receptor nhr-48 0.0015 0.0095 0.0102
Loa Loa (eye worm) hypothetical protein 0.0016 0.0164 0.0164
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.1553 0.1553
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.028 0.0302
Trypanosoma brucei ingi protein (ORF1) 0.0028 0.0625 0.0464
Schistosoma mansoni lipoxygenase 0.0019 0.027 0.0291
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0734 0.0734
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1553 0.9062
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0734 0.0734
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0524 0.0524
Echinococcus granulosus survival motor neuron protein 1 0.027 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0734 0.0734
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0734 0.0734
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0734 0.0734
Loa Loa (eye worm) hypothetical protein 0.0031 0.0734 0.0734
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0309 0.0309
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.4813 0.4813
Loa Loa (eye worm) hypothetical protein 0.0031 0.0734 0.0734
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.028 0.0302
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.1117 0.1117
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2046 0.22
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0642 0.0483
Schistosoma mansoni nuclear receptor 0.0015 0.0095 0.0102
Echinococcus granulosus nuclear receptor nhr 48 0.0015 0.0095 0.0095
Brugia malayi Muscleblind-like protein 0.017 0.6142 0.6142
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0023
Schistosoma mansoni phosphoglucomutase 0.0023 0.0404 0.0434
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0307 0.0307
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0734 0.079
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.1612 0.1612
Schistosoma mansoni hypothetical protein 0.0078 0.2548 0.2741
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.2046 0.2046
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0015 0.0095 0.0389
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Loa Loa (eye worm) RecQ helicase 0.002 0.0309 0.0309
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0734 0.079
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0734 0.0734
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0734 0.0734
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.217 0.217
Loa Loa (eye worm) hypothetical protein 0.0019 0.027 0.027
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.1553 1
Loa Loa (eye worm) hypothetical protein 0.027 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0578 0.0578
Brugia malayi tailless protein 0.0015 0.0095 0.0095
Echinococcus granulosus geminin 0.0193 0.7031 0.7031
Onchocerca volvulus 0.0055 0.1662 0.6793
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0734 0.0734
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0734 0.0734
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0055 0.1681 0.1681
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0309 0.1039
Brugia malayi hypothetical protein 0.0016 0.0164 0.0164
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0734 0.0734
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.1553 0.9129
Schistosoma mansoni bromodomain containing protein 0.0072 0.2328 0.2504
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.2046 0.2046
Loa Loa (eye worm) hypothetical protein 0.0031 0.0734 0.0734
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2046 0.22
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0015 0.0095 0.0095
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0023 0.0404 0.5
Brugia malayi nuclear receptor NHR-67 0.0015 0.0095 0.0095
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0439 0.0439
Leishmania major hypothetical protein, conserved 0.0029 0.0642 0.2968
Echinococcus multilocularis muscleblind protein 0.017 0.6142 0.6142
Echinococcus granulosus lamin 0.0028 0.0598 0.0598
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0309 0.0309
Loa Loa (eye worm) hypothetical protein 0.0019 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0016 0.0164 0.0164
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0015 0.0095 0.0095
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.1553 0.1553
Brugia malayi hypothetical protein 0.0019 0.027 0.027
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0734 0.079
Onchocerca volvulus 0.0019 0.027 0.1105
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0095 0.0095
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0015 0.0095 0.0095
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0734 0.0734
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0734 0.0734
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2046 0.22
Schistosoma mansoni nuclear hormone receptor 0.0015 0.0095 0.0102
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0096 0.3245 0.3245
Brugia malayi nuclear hormone receptor family member nhr-6 0.0015 0.0095 0.0095
Brugia malayi intermediate filament protein 0.0028 0.0598 0.0598
Brugia malayi hypothetical protein 0.0016 0.0164 0.0164
Brugia malayi Doublecortin family protein 0.0019 0.027 0.027
Leishmania major ribonuclease H1, putative 0.0023 0.0404 0.1359
Brugia malayi hypothetical protein 0.0019 0.0246 0.0246
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0015 0.0095 0.0095
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.4813 0.4813
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0023
Echinococcus multilocularis zinc finger protein 0.0022 0.0392 0.0392
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0309 0.0718
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0734 0.079
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0016 0.0164 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0734 0.0734
Schistosoma mansoni zinc finger protein 0.0015 0.0095 0.0102
Onchocerca volvulus 0.0015 0.0095 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0734 0.0734
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0734 0.0734
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0129 0.4535 0.4535
Echinococcus granulosus thyroid hormone receptor alpha 0.0015 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.1662 0.1662
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Loa Loa (eye worm) doublecortin family protein 0.0019 0.027 0.027
Schistosoma mansoni hypothetical protein 0.0013 0.0026 0.0028
Schistosoma mansoni hypothetical protein 0.0129 0.4535 0.4878
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0734 0.0734
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0309 0.0718
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0015 0.0095 0.0095
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.1553 0.1553
Echinococcus multilocularis lamin 0.0028 0.0598 0.0598
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0734 0.0734
Brugia malayi hypothetical protein 0.0015 0.0095 0.0095
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0309 0.0309
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.1117 0.1117
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.1553 0.9129
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0164 0.0176
Schistosoma mansoni hypothetical protein 0.0055 0.1681 0.1809
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0055 0.1681 0.1681
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Schistosoma mansoni rab6-interacting 0.0019 0.027 0.0291
Brugia malayi ecdysone receptor 0.0015 0.0095 0.0095
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2046 0.22
Brugia malayi RNase H family protein 0.0023 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0081 0.2658 0.2658
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0734 0.0734
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0734 0.0734
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.01 0.01
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.027 0.027
Entamoeba histolytica hypothetical protein, conserved 0.0055 0.1681 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0734 0.079
Brugia malayi RNA binding protein 0.0065 0.2046 0.2046
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.1553 0.9129
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.01 0.01
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.027 0.027
Echinococcus granulosus RUN 0.0019 0.027 0.027
Brugia malayi MAP kinase sur-1 0.0052 0.1553 0.1553
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.1553 0.9129
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.0095 0.0095
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0734 0.0734
Loa Loa (eye worm) hypothetical protein 0.0013 0.0043 0.0043
Schistosoma mansoni lamin 0.0028 0.0598 0.0643
Entamoeba histolytica DNA repair and recombination protein, putative 0.0055 0.1681 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0734 0.0734
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0734 0.0734
Echinococcus multilocularis jun protein 0.0096 0.3245 0.3245
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0734 0.0734
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Brugia malayi PHD-finger family protein 0.0028 0.0628 0.0628
Echinococcus multilocularis RUN 0.0019 0.027 0.027
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0524 0.0524
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.1612 0.1612
Brugia malayi RNase H family protein 0.0023 0.0404 0.0404
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0734 0.079
Loa Loa (eye worm) RNA binding protein 0.0065 0.2046 0.2046
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1553 0.9129
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0734 0.0734
Echinococcus granulosus Nuclear hormone receptor HR96 0.0015 0.0095 0.0095
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0309 0.0309
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0164 0.0164
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0164 0.0164
Schistosoma mansoni hypothetical protein 0.0024 0.0439 0.0472
Brugia malayi nuclear receptor NHR-88 0.0015 0.0095 0.0095
Schistosoma mansoni hypothetical protein 0.0017 0.0203 0.0218
Loa Loa (eye worm) nuclear receptor NHR-67 0.0015 0.0095 0.0095
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.027 0.027
Schistosoma mansoni DNA helicase recq1 0.002 0.0309 0.0332
Brugia malayi nuclear receptor NHR-88 0.0031 0.0734 0.0734
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0043 0.0043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0734 0.0734
Brugia malayi hypothetical protein 0.0019 0.027 0.027
Schistosoma mansoni lipoxygenase 0.0054 0.1612 0.1734
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0055 0.1681 1
Echinococcus multilocularis muscleblind protein 1 0.017 0.6142 0.6142
Brugia malayi nuclear hormone receptor 0.0031 0.0734 0.0734
Schistosoma mansoni hypothetical protein 0.0193 0.7031 0.7563
Echinococcus multilocularis nuclear receptor nhr 48 0.0015 0.0095 0.0095
Brugia malayi steroid hormone receptor 0.0031 0.0734 0.0734
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0734 0.0734
Schistosoma mansoni rab6-interacting 0.0019 0.027 0.0291
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0015 0.0095 0.0102
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.027 0.027
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0734 0.0734
Brugia malayi nuclear hormone receptor family member odr-7 0.0015 0.0095 0.0095
Echinococcus granulosus bloom syndrome protein 0.002 0.0309 0.0309
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.1553 0.167
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0028 0.0625 0.0464
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0734 0.0734
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.028 0.0302
Schistosoma mansoni jun-related protein 0.0078 0.2548 0.2741
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0734 0.0734
Treponema pallidum ribonuclease H (rnhA) 0.0023 0.0404 0.5
Onchocerca volvulus 0.0019 0.027 0.1105
Brugia malayi hypothetical protein 0.0015 0.0095 0.0095
Schistosoma mansoni polycystin 1-related 0.0019 0.027 0.0291
Echinococcus multilocularis musashi 0.0028 0.0598 0.0598
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.028 0.028
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1553 0.9062
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1553 0.9062
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0734 0.3001
Brugia malayi MH2 domain containing protein 0.0136 0.4813 0.4813
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0734 0.0734
Onchocerca volvulus 0.0015 0.0095 0.0389
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0043 0.0043
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0095 0.0095
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0598 0.0598
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0026 0.0026
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.028 0.028
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.1553 0.1484
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0524 0.0563
Loa Loa (eye worm) hypothetical protein 0.0029 0.0642 0.0642
Loa Loa (eye worm) hypothetical protein 0.0031 0.0734 0.0734
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Trypanosoma brucei RNA helicase, putative 0.0251 0.9297 1
Echinococcus multilocularis ribonuclease H1 0.0023 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0046 0.1329 0.1329
Schistosoma mansoni zinc finger protein 0.0022 0.0392 0.0422
Onchocerca volvulus Ribonuclease H1 homolog 0.0023 0.0404 0.165
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1553 0.9062
Brugia malayi bZIP transcription factor family protein 0.0096 0.3245 0.3245
Brugia malayi hypothetical protein 0.0075 0.2446 0.2446
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0164 0.0164
Trypanosoma cruzi ribonuclease H1, putative 0.0023 0.0404 0.1359
Giardia lamblia Rrm3p helicase 0.0055 0.1681 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1553 0.9129
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0309 0.0309
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0598 0.0598
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0734 0.0734
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0734 0.0734
Onchocerca volvulus 0.0031 0.0734 0.3001
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0734 0.0734
Trypanosoma cruzi ribonuclease H1, putative 0.0023 0.0404 0.1359
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.028 0.028
Brugia malayi conserved hypotetical protein 0.0015 0.0095 0.0095
Echinococcus multilocularis geminin 0.0193 0.7031 0.7031
Schistosoma mansoni thyroid hormone receptor 0.016 0.5744 0.6178
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0026 0.0026
Brugia malayi hypothetical protein 0.0029 0.0642 0.0642
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0096 0.3245 0.3245
Echinococcus granulosus zinc finger protein 0.0022 0.0392 0.0392
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.028 0.028
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0015 0.0095 0.0102
Trypanosoma brucei protein kinase, putative 0.0052 0.1553 0.1484
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0055 0.1681 0.1626
Schistosoma mansoni hypothetical protein 0.0055 0.1662 0.1787
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.0095 0.0095
Echinococcus multilocularis bloom syndrome protein 0.002 0.0309 0.0309
Giardia lamblia Ribonuclease H 0.0023 0.0404 0.0691
Brugia malayi nuclear receptor RXR 0.0015 0.0095 0.0095
Loa Loa (eye worm) TAR-binding protein 0.0065 0.2046 0.2046
Schistosoma mansoni thyroid hormone receptor 0.016 0.5744 0.6178
Schistosoma mansoni hypothetical protein 0.0251 0.9297 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0309 0.0309
Brugia malayi TAR-binding protein 0.0065 0.2046 0.2046
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.1681 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0055 0.1681 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0309 0.0309
Schistosoma mansoni DNA helicase recq5 0.002 0.0309 0.0332
Trichomonas vaginalis ribonuclease H1, putative 0.0023 0.0404 0.0691
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0734 0.0734
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0015 0.0095 0.0095
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0309 0.0309
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0055 0.1681 0.1626
Loa Loa (eye worm) hypothetical protein 0.0015 0.0095 0.0095
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0164 0.0164
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.028 0.0302
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0309 0.0117
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0031 0.0734 0.0734
Trypanosoma brucei ingi protein (ORF1) 0.0028 0.0625 0.0464
Schistosoma mansoni survival motor neuron protein 0.0055 0.1662 0.1787
Loa Loa (eye worm) hypothetical protein 0.0093 0.3143 0.3143
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0734 0.079

Activities

Activity type Activity value Assay description Source Reference
CIC95 (functional) = 7.56 nM Antiviral activity against HIV1 in human MT4 cells in RPMI1640 media containing fetal bovine serum ChEMBL. 18396399
CIC95 (functional) = 9.52 nM Antiviral activity against HIV1 with RT K103N mutation in human MT4 cells in presence of 10% fetal bovine serum ChEMBL. 18396399
CIC95 (functional) = 14.85 nM Antiviral activity against HIV1 with RT Y181C mutation in human MT4 cells in presence of 10% fetal bovine serum ChEMBL. 18396399
CIC95 (functional) = 23.91 nM Antiviral activity against HIV1 in human MT4 cells in presence of 50% normal human serum ChEMBL. 18396399
IC50 (binding) = 0.14 nM Inhibition of HIV1 reverse transcriptase by SPA assay ChEMBL. 18396399
IC50 (binding) = 0.14 nM Inhibition of HIV1 reverse transcriptase by SPA assay ChEMBL. 18396399
IC50 (binding) = 0.21 nM Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay ChEMBL. 18396399
IC50 (binding) = 0.28 nM Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay ChEMBL. 18396399

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.
 
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

1 literature reference was collected for this gene.

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