Detailed information for compound 1413201

Basic information

Technical information
  • TDR Targets ID: 1413201
  • Name: (3-chlorophenyl)-(4-cyclohexylpiperazin-1-yl) methanone; oxalic acid
  • MW: 396.865 | Formula: C19H25ClN2O5
  • H donors: 2 H acceptors: 5 LogP: 1.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.Clc1cccc(c1)C(=O)N1CCN(CC1)C1CCCCC1
  • InChi: 1S/C17H23ClN2O.C2H2O4/c18-15-6-4-5-14(13-15)17(21)20-11-9-19(10-12-20)16-7-2-1-3-8-16;3-1(4)2(5)6/h4-6,13,16H,1-3,7-12H2;(H,3,4)(H,5,6)
  • InChiKey: AYVVEBVOJNLUIB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3-chlorophenyl)-(4-cyclohexyl-1-piperazinyl)methanone; oxalic acid
  • (3-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone; ethanedioic acid
  • MLS001206224
  • SMR000519050
  • (3-Chloro-phenyl)-(4-cyclohexyl-piperazin-1-yl)-methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0141 0.0168
Brugia malayi hypothetical protein 0.0065 0.0203 0.0247
Onchocerca volvulus Putative organic anion transporter 0.0065 0.0203 0.1391
Echinococcus granulosus geminin 0.0575 0.349 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0156 0.0422
Loa Loa (eye worm) hypothetical protein 0.0248 0.1384 0.1758
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0044 0.007 0.0442
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0156 0.0188
Toxoplasma gondii protease inhibitor PI2 0.0044 0.007 0.0442
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0144 0.071 0.0897
Loa Loa (eye worm) hypothetical protein 0.0065 0.0203 0.0247
Loa Loa (eye worm) hypothetical protein 0.0248 0.1384 0.1758
Brugia malayi intermediate filament protein 0.0093 0.0386 0.0482
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0101 0.0263
Loa Loa (eye worm) hypothetical protein 0.0065 0.0203 0.0247
Loa Loa (eye worm) hypothetical protein 0.0248 0.1384 0.1758
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.017 0.0881 0.1115
Trichomonas vaginalis D-aminoacylase, putative 0.0248 0.1384 0.1768
Schistosoma mansoni tar DNA-binding protein 0.0144 0.071 0.0897
Schistosoma mansoni tar DNA-binding protein 0.0144 0.071 0.0897
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0012 0.0018
Schistosoma mansoni organic anion transporter 0.0065 0.0203 0.0247
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0248 0.1384 0.1758
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0065 0.0203 0.0555
Brugia malayi prostaglandin transporter 0.0065 0.0203 0.0247
Schistosoma mansoni lamin 0.0093 0.0386 0.0482
Echinococcus granulosus agrin 0.0044 0.007 0.0175
Loa Loa (eye worm) hypothetical protein 0.0044 0.007 0.0078
Trichomonas vaginalis penicillin-binding protein, putative 0.0248 0.1384 0.1768
Loa Loa (eye worm) hypothetical protein 0.0047 0.0089 0.0102
Trichomonas vaginalis glutaminase, putative 0.1248 0.7827 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0141 0.0378
Onchocerca volvulus 0.0093 0.0386 0.2731
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0375 0.0468
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0156 0.0188
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0044 0.007 0.0078
Echinococcus multilocularis geminin 0.0575 0.349 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0207 0.057
Loa Loa (eye worm) hypothetical protein 0.0065 0.0203 0.0247
Onchocerca volvulus 0.0058 0.0156 0.1052
Brugia malayi acetyltransferase, GNAT family protein 0.017 0.0881 0.1115
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0089 0.0113
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.007 0.0078
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1248 0.3559
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0248 0.1384 0.115
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.017 0.0881 0.2505
Loa Loa (eye worm) hypothetical protein 0.0248 0.1384 0.1758
Trichomonas vaginalis D-aminoacylase, putative 0.0248 0.1384 0.1768
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0059 0.0144
Schistosoma mansoni organic anion transporter 0.0065 0.0203 0.0247
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0045 0.0075 0.0189
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0012 0.0003
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.008 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.0107 0.0137
Brugia malayi Heterochromatin protein 1 0.0084 0.0327 0.0407
Loa Loa (eye worm) hypothetical protein 0.0043 0.0064 0.007
Plasmodium falciparum basic transcription factor 3b, putative 0.0041 0.0047 0.5276
Loa Loa (eye worm) hypothetical protein 0.0037 0.0023 0.0018
Schistosoma mansoni hypothetical protein 0.0061 0.0176 0.0213
Brugia malayi SPARC precursor 0.0044 0.007 0.0078
Echinococcus granulosus chromobox protein 1 0.0084 0.0327 0.0913
Loa Loa (eye worm) hypothetical protein 0.0065 0.0203 0.0247
Trypanosoma cruzi hypothetical protein, conserved 0.0248 0.1384 1
Schistosoma mansoni hypothetical protein 0.0035 0.0012 0.0003
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.007 0.0078
Mycobacterium tuberculosis Probable hydrolase 0.0248 0.1384 0.115
Echinococcus multilocularis tar DNA binding protein 0.0144 0.071 0.2014
Brugia malayi sodium-independent organic anion transporter family protein 0.0065 0.0203 0.0247
Brugia malayi hypothetical protein 0.0065 0.0203 0.0247
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0207 0.0254
Onchocerca volvulus 0.0248 0.1384 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0248 0.1384 0.1758
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0327 0.0418
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0093 0.0386 0.0482
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0112 0.073
Loa Loa (eye worm) hypothetical protein 0.0043 0.0064 0.007
Trichomonas vaginalis esterase, putative 0.0248 0.1384 0.1768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0141 0.0168
Brugia malayi Bromodomain containing protein 0.0039 0.0039 0.0038
Echinococcus multilocularis chromobox protein 1 0.0084 0.0327 0.0913
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.0107 0.0712
Echinococcus multilocularis peregrin 0.0039 0.0039 0.0084
Echinococcus multilocularis lamin 0.0093 0.0386 0.1084
Brugia malayi beta-lactamase family protein 0.0248 0.1384 0.1758
Echinococcus multilocularis follistatin 0.0044 0.007 0.0175
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0141 0.0168
Brugia malayi mbt repeat family protein 0.0058 0.0156 0.0188
Echinococcus granulosus intermediate filament protein 0.0093 0.0386 0.1084
Brugia malayi beta-NAC-like protein 0.0041 0.0047 0.0048
Brugia malayi chromobox protein homolog 3 0.0047 0.0089 0.0102
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0248 0.1384 0.1758
Onchocerca volvulus 0.0065 0.0203 0.1391
Loa Loa (eye worm) glutaminase 0.1248 0.7827 1
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0065 0.0203 0.0247
Mycobacterium tuberculosis Conserved protein 0.0248 0.1384 0.115
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.0107 0.0712
Mycobacterium tuberculosis Conserved protein 0.0248 0.1384 0.115
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0107 0.0712
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0528 0.1491
Trypanosoma cruzi hypothetical protein, conserved 0.0248 0.1384 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1248 0.3559
Onchocerca volvulus 0.0248 0.1384 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0012 0.0003
Brugia malayi sodium-independent organic anion transporter family protein 0.0065 0.0203 0.0247
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0045 0.0075 0.0189
Loa Loa (eye worm) hypothetical protein 0.0248 0.1384 0.1758
Schistosoma mansoni hypothetical protein 0.0575 0.349 0.4452
Echinococcus granulosus tar DNA binding protein 0.0144 0.071 0.2014
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0012 0.0007
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0155 0.0784 0.0533
Schistosoma mansoni survival motor neuron protein 0.0053 0.0125 0.0148
Mycobacterium ulcerans glutaminase 0.1248 0.7827 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0059 0.0144
Loa Loa (eye worm) hypothetical protein 0.0044 0.007 0.0078
Onchocerca volvulus 0.0044 0.007 0.0425
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0047 0.006
Mycobacterium ulcerans lipase LipD 0.0248 0.1384 0.148
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2181 0.2778
Schistosoma mansoni tar DNA-binding protein 0.0144 0.071 0.0897
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0248 0.1384 0.1758
Echinococcus granulosus Solute carrier organic anion transporter family 0.0065 0.0203 0.0555
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0012 0.0007
Schistosoma mansoni transcription factor btf3 0.0041 0.0047 0.0048
Mycobacterium tuberculosis Conserved protein 0.0248 0.1384 0.115
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0207 0.057
Echinococcus multilocularis survival motor neuron protein 1 0.0258 0.1451 0.4143
Brugia malayi jmjC domain containing protein 0.0115 0.0528 0.0664
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0156 0.0188
Loa Loa (eye worm) hypothetical protein 0.0065 0.0203 0.0247
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0112 0.0143
Schistosoma mansoni tar DNA-binding protein 0.0144 0.071 0.0897
Mycobacterium ulcerans multidrug-transport integral membrane protein Mmr 0.0227 0.1246 0.1299
Onchocerca volvulus Putative organic anion transporter 0.0065 0.0203 0.1391
Loa Loa (eye worm) hypothetical protein 0.0258 0.1451 0.1844
Brugia malayi secreted modular calcium-binding protein 1 0.0044 0.007 0.0078
Trypanosoma cruzi MFS transporter, putative 0.0065 0.0203 0.1166
Loa Loa (eye worm) hypothetical protein 0.0065 0.0203 0.0247
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0044 0.007 0.0442
Brugia malayi Intermediate filament tail domain containing protein 0.0093 0.0386 0.0482
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.008 1
Echinococcus multilocularis snurportin 1 0.0372 0.2181 0.624
Mycobacterium ulcerans hypothetical protein 0.0248 0.1384 0.148
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0248 0.1384 0.148
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0156 0.0188
Schistosoma mansoni agrin 0.0044 0.007 0.0078
Echinococcus granulosus snurportin 1 0.0372 0.2181 0.624
Onchocerca volvulus 0.0065 0.0203 0.1391
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0528 0.1491
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0207 0.0254
Brugia malayi hypothetical protein 0.0258 0.1451 0.1844
Echinococcus multilocularis chromobox protein 1 0.0084 0.0327 0.0913
Schistosoma mansoni lamin 0.0093 0.0386 0.0482
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0141 0.0168
Loa Loa (eye worm) hypothetical protein 0.006 0.0174 0.0211
Echinococcus granulosus transcription factor btf3 0.0041 0.0047 0.0108
Brugia malayi jmjC domain containing protein 0.0043 0.0059 0.0064
Trichomonas vaginalis penicillin-binding protein, putative 0.0248 0.1384 0.1768
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0044 0.007 0.0442
Mycobacterium leprae Probable lipase LipE 0.0248 0.1384 1
Onchocerca volvulus 0.0053 0.0125 0.0823
Trichomonas vaginalis D-aminoacylase, putative 0.0248 0.1384 0.1768
Loa Loa (eye worm) acetyltransferase 0.017 0.0881 0.1115
Loa Loa (eye worm) hypothetical protein 0.0248 0.1384 0.1758
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.008 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.007 0.0078
Brugia malayi RNA, U transporter 1 0.0099 0.0423 0.0529
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0156 0.1052
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0059 0.0064
Toxoplasma gondii NAC domain-containing protein 0.0041 0.0047 0.0273
Leishmania major hypothetical protein, conserved 0.0248 0.1384 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0386 0.0482
Mycobacterium tuberculosis Probable esterase LipL 0.0248 0.1384 0.115
Loa Loa (eye worm) MBCTL1 0.0066 0.0207 0.0254
Plasmodium vivax hypothetical protein, conserved 0.0248 0.1384 1
Brugia malayi beta-lactamase 0.0248 0.1384 0.1758
Onchocerca volvulus 0.0065 0.0203 0.1391
Loa Loa (eye worm) RNA binding protein 0.0144 0.071 0.0897
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0065 0.0203 0.0555
Loa Loa (eye worm) hypothetical protein 0.0066 0.0207 0.0254
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0089 0.0113
Loa Loa (eye worm) hypothetical protein 0.0058 0.0156 0.0188
Mycobacterium ulcerans multidrugs-transport integral membrane protein Mmr-like 0.09 0.5588 0.7039
Schistosoma mansoni hypothetical protein 0.0053 0.0125 0.0148
Plasmodium falciparum phd finger protein, putative 0.0035 0.0012 0.035
Loa Loa (eye worm) agrin synaptic family protein 0.0044 0.007 0.0078
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0207 0.057
Trypanosoma brucei hypothetical protein, conserved 0.0248 0.1384 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0253 0.0312
Echinococcus multilocularis expressed protein 0.0044 0.007 0.0175
Brugia malayi RNA recognition motif domain containing protein 0.0144 0.071 0.0897
Onchocerca volvulus 0.0037 0.0023 0.0083
Brugia malayi TAR-binding protein 0.0144 0.071 0.0897
Loa Loa (eye worm) hypothetical protein 0.0044 0.007 0.0078
Onchocerca volvulus 0.0248 0.1384 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0012 0.0018
Brugia malayi mbt repeat family protein 0.0058 0.0156 0.0188
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.007 0.0078
Echinococcus granulosus peregrin 0.0039 0.0039 0.0084
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0327 0.0418
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0248 0.1384 0.115
Mycobacterium leprae conserved hypothetical protein 0.0248 0.1384 1
Schistosoma mansoni chromobox protein 0.0084 0.0327 0.0407
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.007 0.0078
Brugia malayi glutaminase DH11.1 0.1248 0.7827 1
Onchocerca volvulus 0.0093 0.0386 0.2731
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0141 0.0378
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0089 0.0562
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0156 0.0422
Schistosoma mansoni hypothetical protein 0.0372 0.2181 0.2778
Schistosoma mansoni chromobox protein 0.0084 0.0327 0.0407
Mycobacterium tuberculosis Probable lipase LipD 0.0248 0.1384 0.115
Brugia malayi cytoplasmic intermediate filament protein 0.005 0.0107 0.0125
Mycobacterium ulcerans beta-lactamase 0.0248 0.1384 0.148
Echinococcus multilocularis transcription factor btf3 0.0041 0.0047 0.0108
Onchocerca volvulus 0.0065 0.0203 0.1391
Loa Loa (eye worm) ICD-1 protein 0.0041 0.0047 0.0048
Echinococcus granulosus chromobox protein 1 0.0084 0.0327 0.0913
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.005 0.0107 0.0125
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0112 0.0143
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0327 0.0407
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0125 0.0148
Echinococcus granulosus survival motor neuron protein 1 0.0258 0.1451 0.4143
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0107 0.0281
Loa Loa (eye worm) hypothetical protein 0.0035 0.0012 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0047 0.006
Echinococcus multilocularis musashi 0.0093 0.0386 0.1084
Trypanosoma brucei transcription factor BTF3, putative 0.0041 0.0047 0.0273
Onchocerca volvulus 0.0065 0.0203 0.1391
Mycobacterium ulcerans esterase/lipase LipP 0.0248 0.1384 0.148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0141 0.0378
Plasmodium vivax basic transcription factor 3b, putative 0.0041 0.0047 0.0273
Schistosoma mansoni follistatin 0.0044 0.007 0.0078
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0065 0.0203 0.0555
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0059 0.0064
Schistosoma mansoni hypothetical protein 0.0575 0.349 0.4452
Brugia malayi PHD-finger family protein 0.0035 0.0012 0.0003
Brugia malayi beta-lactamase family protein 0.0248 0.1384 0.1758
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0012 0.0018
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0044 0.007 0.0442
Onchocerca volvulus Putative organic anion transporter 0.0065 0.0203 0.1391
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0101 0.0263
Loa Loa (eye worm) glutaminase 2 0.1248 0.7827 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0059 0.0064
Mycobacterium tuberculosis Probable lipase LipE 0.0248 0.1384 0.115
Echinococcus granulosus histone acetyltransferase KAT2B 0.0165 0.085 0.2416
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0141 0.0378
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0047 0.006
Schistosoma mansoni intermediate filament proteins 0.0093 0.0386 0.0482
Brugia malayi sodium-independent organic anion transporter family protein 0.0065 0.0203 0.0247
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0156 0.0422
Echinococcus granulosus beta LACTamase domain containing family member 0.0248 0.1384 0.3949
Echinococcus multilocularis agrin 0.0044 0.007 0.0175
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0156 0.0422
Loa Loa (eye worm) beta-lactamase 0.0248 0.1384 0.1758
Schistosoma mansoni tar DNA-binding protein 0.0144 0.071 0.0897
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0155 0.0784 0.0687
Toxoplasma gondii ABC1 family protein 0.0248 0.1384 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0375 0.0468
Loa Loa (eye worm) TAR-binding protein 0.0144 0.071 0.0897
Brugia malayi RNA binding protein 0.0144 0.071 0.0897
Echinococcus granulosus follistatin 0.0044 0.007 0.0175
Loa Loa (eye worm) hypothetical protein 0.0065 0.0203 0.0247
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0207 0.057
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.0107 0.0137
Echinococcus granulosus lamin dm0 0.0093 0.0386 0.1084
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0248 0.1384 0.115
Toxoplasma gondii transporter, major facilitator family protein 0.0065 0.0203 0.1407
Echinococcus multilocularis lamin dm0 0.0093 0.0386 0.1084
Loa Loa (eye worm) hypothetical protein 0.0045 0.0075 0.0084
Trypanosoma brucei beta lactamase 0.0074 0.0264 0.1855
Schistosoma mansoni hypothetical protein 0.035 0.2042 0.26
Echinococcus multilocularis beta LACTamase domain containing family member 0.0248 0.1384 0.3949
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0141 0.0168
Echinococcus granulosus lamin 0.0093 0.0386 0.1084
Schistosoma mansoni glutaminase 0.1248 0.7827 1
Loa Loa (eye worm) intermediate filament protein 0.0093 0.0386 0.0482

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 300.14 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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