Detailed information for compound 1446991

Basic information

Technical information
  • TDR Targets ID: 1446991
  • Name: 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N- (pyrazin-2-ylmethyl)piperidine-3-carboxamide
  • MW: 386.875 | Formula: C20H23ClN4O2
  • H donors: 0 H acceptors: 4 LogP: 1.23 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CCN1CC(CCC1=O)C(=O)N(Cc1cnccn1)C
  • InChi: 1S/C20H23ClN4O2/c1-24(14-18-12-22-9-10-23-18)20(27)16-4-7-19(26)25(13-16)11-8-15-2-5-17(21)6-3-15/h2-3,5-6,9-10,12,16H,4,7-8,11,13-14H2,1H3
  • InChiKey: YPDAHHLKNYWMPL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-pyrazinylmethyl)-3-piperidinecarboxamide
  • 1-[2-(4-chlorophenyl)ethyl]-6-keto-N-methyl-N-(pyrazin-2-ylmethyl)nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Brugia malayi Cytochrome P450 family protein 0.0038 0.0237 0.0251
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Schistosoma mansoni hypothetical protein 0.0055 0.0383 0.0383
Brugia malayi nuclear receptor NHR-88 0.004 0.0256 0.0274
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.1051 0.8762 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0122 0.0081
Schistosoma mansoni nuclear hormone receptor 0.0086 0.0636 0.0636
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056
Brugia malayi photoreceptor-specific nuclear receptor 0.0086 0.0636 0.0708
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0219 0.023
Trypanosoma brucei unspecified product 0.0019 0.0074 0.0056
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.0052 0.0052
Leishmania major cytochrome p450-like protein 0.0036 0.0219 0.0191
Entamoeba histolytica hypothetical protein 0.0035 0.0211 0.0157
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0122 0.0111
Onchocerca volvulus 0.004 0.0256 0.0225
Echinococcus granulosus thyroid hormone receptor alpha 0.004 0.0256 0.0256
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0074 0.0056
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0174 0.2837
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0092 0.3308
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.004 0.0256 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0086 0.0636 0.0708
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.004 0.0256 0.0225
Schistosoma mansoni thyroid hormone receptor 0.0086 0.0636 0.0636
Brugia malayi hypothetical protein 0.0035 0.0211 0.0222
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0016 0.0052 0.0031
Loa Loa (eye worm) nuclear receptor nhr-7B 0.004 0.0256 0.0272
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0092 0.0046
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0086 0.0636 0.0707
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0383 0.0418
Brugia malayi RNA binding protein 0.0062 0.0434 0.0478
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Loa Loa (eye worm) hypothetical protein 0.0045 0.0297 0.0319
Schistosoma mansoni nuclear receptor 0.004 0.0256 0.0256
Echinococcus granulosus tar DNA binding protein 0.0062 0.0434 0.0434
Schistosoma mansoni hypothetical protein 0.0494 0.4074 0.4074
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0037 0.0226 0.0238
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0256 0.0266
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0086 0.0636 0.0636
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0226 0.0226
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0129 0.0244
Plasmodium vivax SET domain protein, putative 0.0037 0.0226 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1051 0.8762 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0074 0.1323
Brugia malayi nuclear hormone receptor family member nhr-6 0.004 0.0256 0.0274
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0226 0.0226
Echinococcus multilocularis cpg binding protein 0.0037 0.0225 0.0234
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.029 0.0302
Brugia malayi Pre-SET motif family protein 0.0252 0.2038 0.2312
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1051 0.8762 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.004 0.0256 0.0225
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Brugia malayi hypothetical protein 0.0024 0.0122 0.0121
Brugia malayi hypothetical protein 0.0272 0.2203 0.2499
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0434 0.0476
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0086 0.0636 0.0708
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1153 0.962 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0086 0.0636 0.2017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.029 0.029
Onchocerca volvulus 0.0037 0.0226 0.0084
Trypanosoma brucei cytochrome P450, putative 0.0036 0.0219 0.0222
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0226 0.0235
Schistosoma mansoni DNA polymerase eta 0.0044 0.0282 0.0282
Brugia malayi ecdysone receptor 0.004 0.0256 0.0274
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0086 0.0636 0.2017
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.1051 0.8762 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0045 0.0297 0.0297
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0086 0.0636 0.0708
Brugia malayi Nuclear hormone receptor E75 0.004 0.0256 0.0274
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0045 0.0297 0.0308
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0045 0.0297 0.0297
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0086 0.0636 0.0636
Mycobacterium leprae Conserved hypothetical protein 0.0016 0.0052 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0086 0.0636 0.0708
Echinococcus multilocularis 0.0016 0.0052 0.0054
Loa Loa (eye worm) hypothetical protein 0.0024 0.0122 0.012
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4074 0.4235
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.1051 0.8762 1
Mycobacterium leprae putative cytochrome p450 0.0016 0.0052 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0434 0.0478
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0074 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0086 0.0636 0.0707
Brugia malayi Nuclear hormone receptor-like 1 0.0045 0.0297 0.032
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0434 0.0452
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0074 0.0056
Brugia malayi nuclear hormone receptor 0.0086 0.0636 0.0708
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0086 0.0636 0.0708
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0086 0.0636 0.0708
Loa Loa (eye worm) hypothetical protein 0.0045 0.0297 0.0319
Loa Loa (eye worm) hypothetical protein 0.0086 0.0636 0.0707
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0074 0.0025
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.2038 0.231
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0282 0.0265
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0092 0.0046
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0092 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0211 0.0219
Schistosoma mansoni flap endonuclease-1 0.0023 0.0109 0.0109
Schistosoma mansoni hypothetical protein 0.0011 0.0009 0.0009
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0129 0.0128
Brugia malayi nuclear receptor RXR 0.004 0.0256 0.0274
Brugia malayi hypothetical protein 0.004 0.0256 0.0274
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.0219 0.0191
Schistosoma mansoni nuclear hormone receptor 0.004 0.0256 0.0256
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.004 0.0256 0.0256
Echinococcus granulosus ecdysone induced protein 78C 0.0086 0.0636 0.0636
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.1051 0.8762 0.9109
Loa Loa (eye worm) hypothetical protein 0.0045 0.0297 0.0319
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0074 0.5473
Echinococcus multilocularis ecdysone induced protein 78C 0.0086 0.0636 0.0661
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0086 0.0636 0.0636
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0074 0.0025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.029 0.029
Brugia malayi Cytochrome P450 family protein 0.0016 0.0052 0.0041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.029 0.029
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1051 0.8762 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.004 0.0256 0.0256
Schistosoma mansoni steroid hormone receptor ad4bp 0.0086 0.0636 0.0636
Brugia malayi nuclear receptor RXR 0.0045 0.0297 0.032
Brugia malayi tailless protein 0.004 0.0256 0.0274
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0092 0.2417
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0086 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0086 0.0636 0.0636
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0086 0.0636 0.0708
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0282 0.0304
Onchocerca volvulus 0.0287 0.2331 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0434 0.0434
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0129 0.276
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.029 0.0313
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Schistosoma mansoni survival motor neuron protein 0.0055 0.0383 0.0383
Schistosoma mansoni zinc finger protein 0.004 0.0256 0.0256
Brugia malayi hypothetical protein 0.0045 0.0297 0.032
Brugia malayi Nuclear hormone receptor-like 1 0.0086 0.0636 0.0708
Loa Loa (eye worm) hypothetical protein 0.0086 0.0636 0.0707
Schistosoma mansoni hypothetical protein 0.0165 0.1302 0.1302
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0086 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Loa Loa (eye worm) hypothetical protein 0.0045 0.0297 0.0319
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0129 1
Echinococcus multilocularis geminin 0.0165 0.1302 0.1354
Plasmodium falciparum flap endonuclease 1 0.0025 0.0129 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0226 0.0226
Schistosoma mansoni cytochrome P450 0.0016 0.0052 0.0052
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0226 0.4062
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0086 0.0636 0.0661
Loa Loa (eye worm) RNA binding protein 0.0062 0.0434 0.0476
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0052
Brugia malayi Nuclear hormone receptor-like 1 0.0045 0.0297 0.032
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0434 0.0434
Schistosoma mansoni cpg binding protein 0.0037 0.0225 0.0225
Echinococcus granulosus cpg binding protein 0.0037 0.0225 0.0225
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0086 0.0636 0.0708
Brugia malayi Steroid receptor seven-up type 2 0.0086 0.0636 0.0708
Entamoeba histolytica hypothetical protein 0.0035 0.0211 0.0157
Echinococcus multilocularis Nuclear hormone receptor HR96 0.004 0.0256 0.0266
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Echinococcus granulosus flap endonuclease 1 0.0025 0.0129 0.0129
Schistosoma mansoni cpg binding protein 0.0035 0.0208 0.0208
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0074 0.0025
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0009 0.0009
Entamoeba histolytica hypothetical protein 0.0035 0.0211 0.0157
Onchocerca volvulus 0.0055 0.0383 0.0822
Loa Loa (eye worm) hypothetical protein 0.0045 0.0297 0.0319
Brugia malayi Cytochrome P450 family protein 0.0036 0.0219 0.0231
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0086 0.0636 0.0707
Echinococcus multilocularis transcription factor Dp 1 0.0608 0.5037 0.5236
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0086 0.0636 0.0661
Echinococcus granulosus Nuclear hormone receptor HR96 0.004 0.0256 0.0256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.029 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0086 0.0636 0.0707
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0086 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.002 0.0083 0.0075
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0074 0.0025
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0036 0.0219 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0074 0.0077
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0092 0.0085
Brugia malayi Nuclear hormone receptor E75 0.004 0.0256 0.0274
Echinococcus multilocularis Nuclear hormone receptor HR96 0.004 0.0256 0.0266
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0092 0.0077
Echinococcus granulosus dna polymerase eta 0.0044 0.0282 0.0282
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0018 0.0018
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2331 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0086 0.0636 0.0707
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0086 0.0636 0.0661
Echinococcus multilocularis thyroid hormone receptor alpha 0.0086 0.0636 0.0661
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0122 0.8149
Loa Loa (eye worm) hypothetical protein 0.0086 0.0636 0.0707
Loa Loa (eye worm) hypothetical protein 0.0086 0.0636 0.0707
Schistosoma mansoni coup transcription factor 0.0086 0.0636 0.0636
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0086 0.0636 0.0661
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0086 0.0636 0.0708
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0074 0.0077
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0129 0.0063
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056
Leishmania major hypothetical protein, conserved 0.0024 0.0122 0.0081
Echinococcus granulosus dna polymerase kappa 0.0019 0.0074 0.0074
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0219 0.023
Loa Loa (eye worm) steroid hormone receptor 0.0086 0.0636 0.0707
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0226 0.0235
Schistosoma mansoni hypothetical protein 0.0165 0.1302 0.1302
Brugia malayi hypothetical protein 0.0016 0.0049 0.0037
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0092 0.0092
Brugia malayi nuclear hormone receptor family member odr-7 0.004 0.0256 0.0274
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0086 0.0636 0.0708
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0434 0.0476
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056
Brugia malayi nuclear hormone receptor 0.004 0.0256 0.0274
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0092 0.5
Onchocerca volvulus 0.0086 0.0636 0.2017
Loa Loa (eye worm) hypothetical protein 0.0044 0.0282 0.0303
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.004 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0086 0.0636 0.0707
Leishmania major DNA polymerase eta, putative 0.0031 0.0174 0.014
Loa Loa (eye worm) DR-78 0.004 0.0256 0.0272
Echinococcus granulosus nuclear receptor nhr 48 0.004 0.0256 0.0256
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0272 0.2203 0.2498
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0434 0.0434
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0074 0.0074
Schistosoma mansoni retinoic acid receptor RXR 0.1198 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0122 0.0081
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0129 0.0134
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0208 0.0218
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0045 0.0297 0.0319
Loa Loa (eye worm) hypothetical protein 0.0086 0.0636 0.0707
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0018 0.0019
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056
Loa Loa (eye worm) CYP4Cod1 0.0036 0.0219 0.023
Leishmania major DNA polymerase kappa, putative 0.0019 0.0074 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.029 0.029
Brugia malayi cytochrome P450 0.0016 0.0052 0.0041
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.0219 0.0191
Loa Loa (eye worm) nuclear receptor NHR-67 0.004 0.0256 0.0272
Echinococcus multilocularis FTZ F1 alpha 0.0086 0.0636 0.0661
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0256 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0086 0.0636 0.0708
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0092 0.0081
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0092 0.0087
Loa Loa (eye worm) cytochrome P450 0.0016 0.0052 0.0039
Echinococcus granulosus survival motor neuron protein 1 0.0272 0.2203 0.2203
Schistosoma mansoni nuclear hormone receptor 0.004 0.0256 0.0256
Brugia malayi hypothetical protein 0.0045 0.0297 0.032
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0272
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0074 0.0074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.029 0.029
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0211 0.0211
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0086 0.0636 0.0661
Schistosoma mansoni thyroid hormone receptor 0.0086 0.0636 0.0636
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0122 0.8149
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.004 0.0256 0.0274
Echinococcus granulosus geminin 0.0165 0.1302 0.1302
Brugia malayi ecdysteroid receptor 0.0086 0.0636 0.0708
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0092 0.0021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.029 0.0312
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0226 0.0226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0086 0.0636 0.0707
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0547 0.0547
Schistosoma mansoni nuclear receptor 0.004 0.0256 0.0256
Schistosoma mansoni ap endonuclease 0.0021 0.0092 0.0092
Loa Loa (eye worm) nuclear hormone receptor 0.004 0.0256 0.0272
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0434 0.0434
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0129 0.1802
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0122 0.1643
Schistosoma mansoni cpg binding protein 0.0037 0.0225 0.0225
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0074 0.0056
Echinococcus multilocularis dna polymerase eta 0.0044 0.0282 0.0294
Loa Loa (eye worm) hypothetical protein 0.0086 0.0636 0.0707
Brugia malayi TAR-binding protein 0.0062 0.0434 0.0478
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0129 0.0089
Echinococcus granulosus transcription factor Dp 1 0.0608 0.5037 0.5037
Echinococcus multilocularis nuclear receptor nhr 48 0.004 0.0256 0.0266
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0074 0.0064
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.1051 0.8762 0.8762
Onchocerca volvulus 0.004 0.0256 0.0225
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0086 0.0636 0.0636
Echinococcus multilocularis survival motor neuron protein 1 0.0272 0.2203 0.229
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.004 0.0256 0.0266
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0086 0.0636 0.0636
Echinococcus granulosus FTZ F1 alpha 0.0086 0.0636 0.0636
Schistosoma mansoni nuclear receptor nhr-48 0.004 0.0256 0.0256
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0086 0.0636 0.0636
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0074 0.1323
Brugia malayi Cytochrome P450 family protein 0.0036 0.0219 0.0231
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0086 0.0636 0.0707
Schistosoma mansoni ap endonuclease 0.0021 0.0092 0.0092
Brugia malayi orphan nuclear receptor NR2E1 0.004 0.0256 0.0274
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0481 1
Entamoeba histolytica hypothetical protein 0.0035 0.0211 0.0157
Toxoplasma gondii exonuclease III APE 0.0021 0.0092 0.0941
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0086 0.0636 0.0661
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0074 0.5473
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0174 0.014
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056
Loa Loa (eye worm) hypothetical protein 0.0086 0.0636 0.0707
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0092 0.0046
Brugia malayi conserved hypotetical protein 0.004 0.0256 0.0274
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0074 0.0074
Brugia malayi nuclear receptor NHR-67 0.004 0.0256 0.0274
Brugia malayi nuclear receptor NHR-88 0.0086 0.0636 0.0708
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0092 0.0096
Schistosoma mansoni hypothetical protein 0.0035 0.0211 0.0211
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0086 0.0636 0.0636
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4074 0.4074
Brugia malayi CXXC zinc finger family protein 0.0035 0.0208 0.0219
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0086 0.0636 0.0708
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.1051 0.8762 0.8762
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0226 0.0226
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0074 0.0066
Schistosoma mansoni RAR-like nuclear receptor 0.0086 0.0636 0.0636
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0434 0.0434
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0086 0.0636 0.0636
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0129 0.0089
Brugia malayi Pre-SET motif family protein 0.0037 0.0226 0.024
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0129 0.0119
Leishmania major DNA polymerase eta, putative 0.0044 0.0282 0.0265
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.1051 0.8762 1
Brugia malayi hypothetical protein 0.004 0.0256 0.0274
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0209 0.0209
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0122 0.2249
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0092 0.5
Brugia malayi Flap endonuclease-1 0.0025 0.0129 0.0129
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0092 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0086 0.0636 0.0708
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0282 0.0295
Onchocerca volvulus Bile acid receptor homolog 0.0086 0.0636 0.2017
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0237 0.025
Brugia malayi steroid hormone receptor 0.0086 0.0636 0.0708
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0045 0.0297 0.0297
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0074 0.0056

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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