Detailed information for compound 1340042

Basic information

Technical information
  • TDR Targets ID: 1340042
  • Name: 4-(3-chlorophenyl)-N-cyclopentylpiperazine-1- carbothioamide
  • MW: 323.884 | Formula: C16H22ClN3S
  • H donors: 1 H acceptors: 0 LogP: 3.64 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1CCN(CC1)C(=S)NC1CCCC1
  • InChi: 1S/C16H22ClN3S/c17-13-4-3-7-15(12-13)19-8-10-20(11-9-19)16(21)18-14-5-1-2-6-14/h3-4,7,12,14H,1-2,5-6,8-11H2,(H,18,21)
  • InChiKey: SRUIOULEHXLTML-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(3-chlorophenyl)-N-cyclopentyl-piperazine-1-carbothioamide
  • 4-(3-chlorophenyl)-N-cyclopentyl-1-piperazinecarbothioamide
  • STK087198
  • AJ-292/41694574
  • ZINC00467601
  • MLS000662593
  • SMR000292489

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No 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_133913 All targets in OG5_133913
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
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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0193 0.0193
Toxoplasma gondii pyruvate kinase PyKII 0.0432 0.5091 0.5091
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0142 0.0125
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0255 0.0255
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.006 0.006
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.006 0.006
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0106 0.0106
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0193 0.0193
Echinococcus granulosus dna polymerase kappa 0.0023 0.0193 0.0176
Trichomonas vaginalis pyruvate kinase, putative 0.0842 1 1
Schistosoma mansoni hypothetical protein 0.0494 0.583 0.583
Echinococcus multilocularis pyruvate kinase 0.0432 0.5091 0.5082
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.006
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0193 0.0193
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0333 0.0143
Echinococcus granulosus snurportin 1 0.0305 0.3562 0.3551
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0191 0.0183
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Toxoplasma gondii pyruvate kinase PyK1 0.0842 1 1
Leishmania major pyruvate kinase 0.0842 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0165 0.0165
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.006 0.006
Echinococcus multilocularis pyruvate kinase 0.0665 0.7875 0.7871
Schistosoma mansoni hypothetical protein 0.0019 0.0142 0.0142
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0333 0.0333
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0333 0.0326
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0191 0.0183
Schistosoma mansoni hypothetical protein 0.011 0.1236 0.1236
Onchocerca volvulus 0.0035 0.0329 0.0271
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0333 0.0326
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0842 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0842 1 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0165 0.0165
Entamoeba histolytica hypothetical protein 0.011 0.1236 0.1579
Schistosoma mansoni hypothetical protein 0.0019 0.0142 0.0142
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0333 0.0143
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0042 0.0025
Echinococcus granulosus pyruvate kinase 0.0432 0.5091 0.5082
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0165 0.0149
Loa Loa (eye worm) pyruvate kinase 0.0842 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.006
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0795 0.0795
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.006 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.006 0.006
Schistosoma mansoni cpg binding protein 0.0037 0.0352 0.0352
Trypanosoma brucei unspecified product 0.0023 0.0193 0.0193
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.006 0.0043
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.006
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0333 0.0326
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0191 0.0183
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0035 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0041 0.0406 0.0406
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0193 0.0176
Mycobacterium tuberculosis Conserved protein 0.0035 0.0333 0.0143
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0255 0.0255
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0255 0.2965 0.2965
Loa Loa (eye worm) pyruvate kinase-PB 0.0587 0.6948 0.6948
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0193 0.0193
Leishmania major importin beta-1 subunit, putative 0.0023 0.0191 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0106 0.0106
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0142 0.0142
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.07 0.07
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.006 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.006 0.006
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0019 0.0142 0.0142
Brugia malayi RNA, U transporter 1 0.0081 0.0885 0.0885
Trypanosoma brucei pyruvate kinase 1, putative 0.0842 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0193 0.0185
Brugia malayi nuclear receptor NHR-88 0.0012 0.006 0.006
Giardia lamblia DINP protein human, muc B family 0.0023 0.0193 0.0193
Echinococcus multilocularis dna polymerase eta 0.0023 0.0193 0.0176
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0191 0.0191
Echinococcus multilocularis pyruvate kinase 0.0432 0.5091 0.5082
Schistosoma mansoni ran 0.0021 0.0165 0.0165
Schistosoma mansoni DNA polymerase eta 0.0023 0.0193 0.0193
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.583 0.5823
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0333 0.0326
Schistosoma mansoni thyroid hormone receptor 0.0012 0.006 0.006
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0406 0.0406
Trichomonas vaginalis pyruvate kinase, putative 0.0842 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.006 0.006
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0329 0.0329
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.006 0.006
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0634 0.0634
Schistosoma mansoni pyruvate kinase 0.0842 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.006 0.0043
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0142 0.0142
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.006 0.006
Entamoeba histolytica hypothetical protein 0.011 0.1236 0.1579
Entamoeba histolytica hypothetical protein 0.0023 0.0191 0.0038
Schistosoma mansoni hypothetical protein 0.0041 0.0406 0.0406
Plasmodium vivax pyruvate kinase, putative 0.0842 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.006
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0193 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0142 0.0142
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.006 0.006
Entamoeba histolytica pyruvate kinase, putative 0.0587 0.6948 1
Plasmodium falciparum pyruvate kinase 0.0842 1 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0333 0.0143
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.006 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0019 0.0142 0.0142
Echinococcus granulosus dna polymerase eta 0.0023 0.0193 0.0176
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Schistosoma mansoni pyruvate kinase 0.0432 0.5091 0.5091
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.006 0.006
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0042 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.006 0.006
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0193 0.0193
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.006 0.0043
Loa Loa (eye worm) beta-lactamase 0.0035 0.0333 0.0333
Leishmania major DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0333 0.0333
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.006 0.006
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0333 0.0143
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0042 0.0042
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.006 0.006
Echinococcus granulosus importin subunit beta 1 0.0029 0.0255 0.0239
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.006 0.006
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0165 0.0165
Trypanosoma cruzi pyruvate kinase 2, putative 0.0842 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Leishmania major DNA polymerase eta, putative 0.0023 0.0193 0.0193
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.006 0.0043
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0193 0.0193
Brugia malayi Importin beta-1 subunit 0.0029 0.0255 0.0255
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0255 0.0239
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0333 0.0333
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0106 0.0106
Leishmania major hypothetical protein, conserved 0.0035 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0023 0.0193 0.0193
Schistosoma mansoni transcription factor LCR-F1 0.011 0.1236 0.1236
Schistosoma mansoni nuclear hormone receptor 0.0012 0.006 0.006
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0193 0.0176
Trichomonas vaginalis ran, putative 0.0021 0.0165 0.0158
Schistosoma mansoni hypothetical protein 0.0305 0.3562 0.3562
Echinococcus granulosus pyruvate kinase 0.0432 0.5091 0.5082
Echinococcus multilocularis pyruvate kinase 0.0842 1 1
Onchocerca volvulus 0.0035 0.0333 0.0275
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.006
Trypanosoma brucei unspecified product 0.0016 0.0106 0.0106
Loa Loa (eye worm) pyruvate kinase 0.0177 0.2038 0.2038
Trypanosoma cruzi pyruvate kinase 2, putative 0.0842 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.006 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Mycobacterium ulcerans lipase LipD 0.0035 0.0333 0.0333
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Onchocerca volvulus Pyruvate kinase homolog 0.0842 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0333 0.0143
Echinococcus granulosus pyruvate kinase 0.0432 0.5091 0.5082
Echinococcus multilocularis cpg binding protein 0.0037 0.0352 0.0336
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.006 0.006
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.006 0.0043
Giardia lamblia Pyruvate kinase 0.0432 0.5091 0.5091
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Brugia malayi ecdysteroid receptor 0.0012 0.006 0.006
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0165 0.0165
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.006 0.0043
Echinococcus multilocularis GPCR, family 2 0.0019 0.0142 0.0125
Brugia malayi pyruvate kinase 0.0177 0.2038 0.2038
Leishmania major GTP-binding protein, putative 0.0021 0.0165 0.0165
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.006 0.0043
Brugia malayi pyruvate kinase, muscle isozyme 0.0177 0.2038 0.2038
Plasmodium falciparum importin beta, putative 0.0029 0.0255 0.0255
Toxoplasma gondii ABC1 family protein 0.0035 0.0333 0.0333
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2594 0.2449
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0333 0.0333
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.006 0.0043
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0029 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0019 0.0142 0.0142
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.006 0.006
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0587 0.6948 0.6948
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0333 0.0317
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.006 0.006
Trypanosoma brucei pyruvate kinase 1 0.0842 1 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.006 0.0043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.006 0.0043
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0142 0.0125
Loa Loa (eye worm) hypothetical protein 0.0035 0.0333 0.0333
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0165 0.0165
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0193 0.0193
Plasmodium vivax pyruvate kinase 2, putative 0.0432 0.5091 0.5091
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0193 0.0193
Brugia malayi beta-lactamase family protein 0.0035 0.0333 0.0333
Echinococcus multilocularis pyruvate kinase 0.0842 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0193 0.0185
Echinococcus granulosus GPCR family 2 0.0019 0.0142 0.0125
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.006
Plasmodium vivax importin-beta 2, putative 0.0029 0.0255 0.0255
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0193 0.0193
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0017 0.0017
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0165 0.0165
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0142 0.0125
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0165 0.0165
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.006 0.006
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.3562 0.3562
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0165 0.0165
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.006 0.006
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Mycobacterium ulcerans beta-lactamase 0.0035 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0842 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.006 0.006
Schistosoma mansoni pyruvate kinase 0.0842 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0634 0.0634
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.006 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.006 0.006
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0333 0.0143
Echinococcus granulosus pyruvate kinase 0.0842 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0165 0.0149
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0333 0.0333
Mycobacterium ulcerans pyruvate kinase 0.0842 1 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0165 0.0165
Echinococcus granulosus dnaJ subfamily B 0.0494 0.583 0.5823
Schistosoma mansoni cpg binding protein 0.0037 0.0352 0.0352
Loa Loa (eye worm) hypothetical protein 0.0035 0.0333 0.0333
Echinococcus multilocularis snurportin 1 0.0305 0.3562 0.3551
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0333 0.0333
Onchocerca volvulus 0.0035 0.0333 0.0275
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.006 0.006
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.1236 0.1221
Loa Loa (eye worm) hypothetical protein 0.0035 0.0333 0.0333
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.006 0.0043
Entamoeba histolytica hypothetical protein 0.011 0.1236 0.1579
Loa Loa (eye worm) pyruvate kinase 0.0842 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0193 0.0193
Brugia malayi beta-lactamase 0.0035 0.0333 0.0333
Echinococcus granulosus pyruvate kinase 0.0842 1 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0333 0.0143
Entamoeba histolytica hypothetical protein 0.011 0.1236 0.1579
Brugia malayi hypothetical protein 0.011 0.1236 0.1236
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.006 0.006
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0255 0.0255
Trichomonas vaginalis esterase, putative 0.0035 0.0333 0.0326
Mycobacterium ulcerans hypothetical protein 0.0035 0.0333 0.0333
Brugia malayi beta-lactamase family protein 0.0035 0.0333 0.0333
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0634 0.0634
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0193 0.0193
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193
Leishmania major pyruvate kinase 0.0842 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0333 0.0143
Echinococcus multilocularis pyruvate kinase 0.0432 0.5091 0.5082
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.006 0.006
Schistosoma mansoni coup transcription factor 0.0012 0.006 0.006
Trypanosoma brucei unspecified product 0.0016 0.0106 0.0106
Giardia lamblia Pyruvate kinase 0.0842 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0333 0.0333
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0634 0.0634
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.1236 0.1221
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.006
Schistosoma mansoni importin beta-1 0.0029 0.0255 0.0255
Onchocerca volvulus 0.0035 0.0333 0.0275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.006 0.006
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0333 0.0317
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.006 0.006
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0333 0.0326
Chlamydia trachomatis pyruvate kinase 0.0842 1 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.0329 0.0329
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.006 0.006
Schistosoma mansoni thyroid hormone receptor 0.0012 0.006 0.006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.006 0.006
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0193 0.0176
Brugia malayi steroid hormone receptor 0.0012 0.006 0.006
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0193 0.0193
Mycobacterium leprae Probable pyruvate kinase PykA 0.0842 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0842 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0333 0.0333
Schistosoma mansoni ran 0.0021 0.0165 0.0165
Plasmodium falciparum pyruvate kinase 2 0.0432 0.5091 0.5091
Echinococcus granulosus cpg binding protein 0.0037 0.0352 0.0336
Loa Loa (eye worm) pyruvate kinase 0.0842 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0193 0.0193
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.006 0.006
Brugia malayi Pyruvate kinase, M2 isozyme 0.0842 1 1
Schistosoma mansoni cpg binding protein 0.0035 0.0329 0.0329
Brugia malayi nuclear hormone receptor 0.0012 0.006 0.006
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0333 0.0143
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.006 0.0043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.006 0.0043
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0142 0.0125
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0333 0.0333
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0193 0.0193

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 10 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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