Detailed information for compound 1582129

Basic information

Technical information
  • TDR Targets ID: 1582129
  • Name: N-(4-methoxyphenyl)-4-methylpiperazine-1-carb othioamide
  • MW: 265.374 | Formula: C13H19N3OS
  • H donors: 1 H acceptors: 0 LogP: 1.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=S)N1CCN(CC1)C
  • InChi: 1S/C13H19N3OS/c1-15-7-9-16(10-8-15)13(18)14-11-3-5-12(17-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,14,18)
  • InChiKey: CIUDPBBVVQPHBO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methoxyphenyl)-4-methyl-piperazine-1-carbothioamide
  • N-(4-methoxyphenyl)-4-methyl-1-piperazinecarbothioamide
  • TimTec1_002553
  • ST033576
  • MLS001180373
  • SMR000476902
  • Oprea1_053694
  • AK-968/41018777

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.004 0.0197 0.0432
Echinococcus granulosus tar DNA binding protein 0.0125 0.1074 0.1062
Brugia malayi Latrophilin receptor protein 2 0.0096 0.077 0.1734
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0194 0.0265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.009 0.0054
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0315 0.0963
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0013 0.0018
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0013 0.0018
Schistosoma mansoni hypothetical protein 0.0076 0.0572 0.2002
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0197 0.0421
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0029 0.0015
Schistosoma mansoni hypothetical protein 0.0205 0.1887 0.6679
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0197 0.0162
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0163 0.1457 1
Brugia malayi Glutamate receptor 2 precursor 0.0042 0.0215 0.0463
Echinococcus multilocularis glutamate receptor 2 0.0042 0.0215 0.0202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0168 0.0211
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0165 0.0152
Loa Loa (eye worm) hypothetical protein 0.0044 0.0243 0.0538
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0185 0.0629
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0011
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0446 0.2849
Schistosoma mansoni glutamate receptor NMDA 0.0055 0.0351 0.1218
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.1074 0.2431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0168 0.0211
Loa Loa (eye worm) hypothetical protein 0.004 0.0197 0.0432
Echinococcus multilocularis glutamate receptor 2 0.0029 0.0086 0.0073
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0013 0.0018
Trypanosoma cruzi target of rapamycin kinase 3 0.004 0.0194 0.0537
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0274 0.2596 0.2586
Brugia malayi Pre-SET motif family protein 0.0447 0.4375 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0197 0.0432
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0163 0.1457 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0298 0.0476
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.2861 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0108 0.0901 0.0889
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.0298 0.1043
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0197 0.027
Brugia malayi PHD-finger family protein 0.003 0.0099 0.0197
Entamoeba histolytica hypothetical protein 0.0076 0.0572 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1074 0.3788
Schistosoma mansoni thyroid hormone receptor 0.0296 0.2821 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0042 0.0215 0.0202
Onchocerca volvulus Matrilysin homolog 0.003 0.0094 0.0161
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0196
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0163 0.1457 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0013 0.0011
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0013 0.0018
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0099 0.0086
Loa Loa (eye worm) matrix metalloproteinase 0.003 0.0094 0.0196
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0598 0.2097
Mycobacterium leprae conserved hypothetical protein 0.004 0.0197 0.028
Echinococcus multilocularis peptidase Clp (S14 family) 0.0107 0.0882 0.087
Echinococcus granulosus glutamate receptor subunit protein glur 0.0026 0.0053 0.0039
Schistosoma mansoni hypothetical protein 0.0096 0.077 0.2707
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0013 0.0018
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1074 0.3788
Loa Loa (eye worm) hypothetical protein 0.004 0.0197 0.0432
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0056 0.0363 0.2262
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0197 0.0162
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0426 0.0413
Onchocerca volvulus Matrix metalloproteinase homolog 0.0066 0.0467 0.0908
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0055 0.0351 0.0338
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0197 0.0162
Onchocerca volvulus 0.004 0.0197 0.0368
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0026 0.0053 0.0039
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0026 0.0053 0.0039
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0036 0.0161 0.0338
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.0298 0.0906
Schistosoma mansoni ATP-binding cassette transporter 0.0042 0.0215 0.0735
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0163 0.1457 1
Onchocerca volvulus 0.004 0.0197 0.0368
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0026 0.0053 0.0039
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0163 0.1457 1
Mycobacterium leprae Probable lipase LipE 0.004 0.0197 0.028
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0064 0.0001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0446 0.0433
Brugia malayi Matrixin family protein 0.0072 0.0528 0.118
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0011
Schistosoma mansoni bromodomain containing protein 0.0066 0.0464 0.162
Schistosoma mansoni cellular tumor antigen P53 0.0146 0.1283 0.4531
Brugia malayi beta-lactamase family protein 0.004 0.0197 0.0421
Mycobacterium tuberculosis Conserved protein 0.004 0.0197 0.0162
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0096 0.077 0.1734
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0194 0.0265
Trichomonas vaginalis set domain proteins, putative 0.0509 0.5009 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1074 0.3788
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0013 0.0018
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0096 0.077 0.0757
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.009 0.0054
Schistosoma mansoni hypothetical protein 0.0274 0.2596 0.9199
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0197 0.027
Schistosoma mansoni glutamate receptor NMDA 0.0042 0.0215 0.0735
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0055 0.0351 0.0338
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0197 0.0688
Loa Loa (eye worm) hypothetical protein 0.0146 0.1283 0.2918
Brugia malayi MH2 domain containing protein 0.0115 0.0973 0.2199
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0064 0.0001
Mycobacterium tuberculosis Conserved protein 0.004 0.0197 0.0162
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0185 0.0405
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.0298 0.1043
Echinococcus multilocularis peregrin 0.0033 0.0125 0.0111
Toxoplasma gondii ABC1 family protein 0.004 0.0197 0.1088
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0013 0.0011
Echinococcus multilocularis geminin 0.0205 0.1887 0.1876
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0011
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0197 0.0184
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0013 0.0018
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0196
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0099 0.0398
Echinococcus granulosus peptidase Clp S14 family 0.0107 0.0882 0.087
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0029 0.0073
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0163 0.1457 1
Leishmania major mitochondrial DNA polymerase beta 0.03 0.2861 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0197 0.0432
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0056 0.0363 0.2262
Entamoeba histolytica hypothetical protein 0.0076 0.0572 1
Schistosoma mansoni hypothetical protein 0.0207 0.1909 0.6758
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0208
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0066 0.0466 0.0945
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.2861 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.1407 0.5561
Echinococcus granulosus peregrin 0.0033 0.0125 0.0111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0168 0.0211
Brugia malayi beta-lactamase 0.004 0.0197 0.0421
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0197 0.0546
Mycobacterium ulcerans hypothetical protein 0.0158 0.1407 0.9614
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.0973 0.2208
Onchocerca volvulus 0.004 0.0197 0.0368
Loa Loa (eye worm) hypothetical protein 0.0082 0.0628 0.1419
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.0808 0.0796
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0055 0.0351 0.0338
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.022 0.0769
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0099 0.0324
Plasmodium vivax hypothetical protein, conserved 0.003 0.0099 0.0398
Schistosoma mansoni glutamate receptor kainate 0.0042 0.0215 0.0735
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0064 0.0001
Echinococcus multilocularis NMDA receptor 0.0026 0.0053 0.0039
Trichomonas vaginalis esterase, putative 0.004 0.0197 0.027
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0298 0.0664
Giardia lamblia GTOR 0.005 0.0298 1
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0013 0.0018
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0092 0.0731 0.0719
Schistosoma mansoni coup transcription factor 0.0022 0.0013 0.0018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0302 0.2891 0.6597
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0096 0.077 0.0757
Onchocerca volvulus Alhambra homolog 0.003 0.0099 0.0172
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0197 0.0162
Loa Loa (eye worm) matrixin family protein 0.0072 0.0528 0.119
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0043 0.0151
Loa Loa (eye worm) hypothetical protein 0.004 0.0198 0.0434
Brugia malayi Bromodomain containing protein 0.0078 0.0589 0.132
Echinococcus granulosus glutamate receptor 2 0.0055 0.0351 0.0338
Mycobacterium ulcerans hypothetical protein 0.004 0.0197 0.028
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0572 0.0559
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0066 0.0466 0.1364
Loa Loa (eye worm) TAR-binding protein 0.0125 0.1074 0.244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0224 0.0325
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1074 0.3788
Schistosoma mansoni hypothetical protein 0.0096 0.077 0.2707
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.003 0.0094 0.0305
Onchocerca volvulus 0.0064 0.0446 0.0866
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1242 0.4256
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0197 0.0546
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0194 0.068
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0302 0.2891 0.6601
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0107 0.0882 0.3218
Brugia malayi Hemopexin family protein 0.0042 0.0222 0.0478
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0055 0.0351 0.0338
Onchocerca volvulus 0.0042 0.0222 0.0417
Schistosoma mansoni hypothetical protein 0.0026 0.0053 0.0157
Brugia malayi PHD-finger family protein 0.0026 0.0054 0.0093
Echinococcus multilocularis thyroid hormone receptor alpha 0.0296 0.2821 0.2811
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0163 0.1457 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.2861 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.0298 0.0906
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0197 0.0162
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.0808 0.0796
Brugia malayi Bromodomain containing protein 0.004 0.0197 0.0421
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0298 0.0476
Brugia malayi latrophilin 2 splice variant baaae 0.0207 0.1909 0.4346
Loa Loa (eye worm) hypothetical protein 0.0052 0.0322 0.0718
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0298 0.0476
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0168 0.0211
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0099 0.0208
Brugia malayi hypothetical protein 0.0025 0.0043 0.0068
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0082 0.0628 0.2203
Echinococcus multilocularis nmda type glutamate receptor 0.0092 0.0731 0.0719
Loa Loa (eye worm) hypothetical protein 0.0074 0.0543 0.1225
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.0446 0.1556
Loa Loa (eye worm) matrixin family protein 0.0066 0.0467 0.105
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0013 0.0011
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0099 0.0398
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0163 0.1457 1
Brugia malayi RNA binding protein 0.0125 0.1074 0.2431
Schistosoma mansoni hypothetical protein 0.0096 0.077 0.2707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.013 0.0136
Echinococcus multilocularis GPCR, family 2 0.0096 0.077 0.0757
Brugia malayi Pre-SET motif family protein 0.0064 0.0446 0.0992
Onchocerca volvulus 0.003 0.0094 0.0161
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0099 0.0086
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0013 0.0018
Schistosoma mansoni hypothetical protein 0.0096 0.077 0.2707
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0011
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0572 0.0559
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0197 0.027
Plasmodium vivax hypothetical protein, conserved 0.004 0.0197 0.1088
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0163 0.1457 0.1445
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0446 0.1556
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0163 0.1457 0.1445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0013 0.0011
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0431 0.0968
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.022 0.0628
Onchocerca volvulus 0.0509 0.5009 1
Brugia malayi Glutamate receptor 1 precursor 0.0042 0.0215 0.0463
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0108 0.0901 0.0889
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0042 0.0215 0.0202
Echinococcus granulosus nmda type glutamate receptor 0.0092 0.0731 0.0719
Schistosoma mansoni glutamate receptor AMPA 0.0042 0.0215 0.0735
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0221 0.0208
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0093 0.006
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.0298 0.0286
Loa Loa (eye worm) glutamate receptor 2 0.0042 0.0215 0.0474
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0163 0.1457 1
Loa Loa (eye worm) glutamate receptor 1 0.0042 0.0215 0.0474
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0071 0.0515 0.1801
Schistosoma mansoni hypothetical protein 0.0205 0.1887 0.6679
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.0168 0.0881
Schistosoma mansoni glutamate receptor kainate 0.0042 0.0215 0.0735
Loa Loa (eye worm) hypothetical protein 0.0042 0.0223 0.0492
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0197 0.0184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0168 0.0211
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0026 0.0053 0.0039
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0107 0.0882 0.5564
Brugia malayi Matrixin family protein 0.003 0.0094 0.0185
Echinococcus multilocularis tar DNA binding protein 0.0125 0.1074 0.1062
Toxoplasma gondii hypothetical protein 0.0056 0.0363 0.2262
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0221 0.0208
Echinococcus granulosus glutamate receptor 2 0.0029 0.0086 0.0073
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0185 0.0172
Brugia malayi hypothetical protein 0.0076 0.0572 0.128
Plasmodium falciparum phd finger protein, putative 0.003 0.0099 0.0398
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0013 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0194 0.0265
Mycobacterium ulcerans lipase LipD 0.004 0.0197 0.028
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.2401 1
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0197 0.028
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0196
Schistosoma mansoni peptidase Clp (S14 family) 0.0163 0.1457 0.515
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0426 0.0413
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0066 0.0466 0.0945
Entamoeba histolytica hypothetical protein 0.0076 0.0572 1
Mycobacterium tuberculosis Conserved protein 0.004 0.0197 0.0162
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0026 0.0053 0.0039
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0274 0.2596 0.2586
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0013 0.0011
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0197 0.0671
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0197 0.0671
Echinococcus multilocularis tumor protein p63 0.0995 1 1
Leishmania major hypothetical protein, conserved 0.004 0.0197 0.0546
Onchocerca volvulus Matrilysin homolog 0.0066 0.0467 0.0908
Brugia malayi Matrixin family protein 0.003 0.0094 0.0185
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0194 0.0265
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0055 0.0351 0.0338
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0093 0.006
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0062 0.0422 0.0409
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0026 0.0053 0.0039
Entamoeba histolytica hypothetical protein 0.0076 0.0572 1
Schistosoma mansoni glutamate receptor kainate 0.0042 0.0215 0.0735
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.0298 0.0906
Schistosoma mansoni hypothetical protein 0.003 0.0099 0.0324
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.1242 0.4342
Echinococcus multilocularis glutamate receptor 2 0.0055 0.0351 0.0338
Loa Loa (eye worm) hypothetical protein 0.004 0.0197 0.0432
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0011
Loa Loa (eye worm) hypothetical protein 0.0207 0.1909 0.4352
Loa Loa (eye worm) hypothetical protein 0.0302 0.2891 0.6601
Brugia malayi TAR-binding protein 0.0125 0.1074 0.2431
Loa Loa (eye worm) hypothetical protein 0.0036 0.0161 0.0349
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0096 0.077 0.0757
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0119 0.0114
Toxoplasma gondii hypothetical protein 0.0048 0.0284 0.1701
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0197 0.0162
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0056 0.0363 0.156
Schistosoma mansoni glutamate receptor AMPA 0.0042 0.0215 0.0735
Schistosoma mansoni thyroid hormone receptor 0.0296 0.2821 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0082 0.0628 0.0616
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0197 0.0162
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0055 0.0351 0.0338
Mycobacterium ulcerans beta-lactamase 0.004 0.0197 0.028
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0011
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0172 0.0159
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0066 0.0466 0.2358
Onchocerca volvulus 0.0146 0.1283 0.2541
Loa Loa (eye worm) RNA binding protein 0.0125 0.1074 0.244
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.004 0.0194 0.0537
Brugia malayi Bromodomain containing protein 0.0033 0.0125 0.0255
Echinococcus granulosus geminin 0.0205 0.1887 0.1876
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0013 0.0011
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.0298 0.1032
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0013 0.0011
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0107 0.0882 0.3218
Brugia malayi Calcitonin receptor-like protein seb-1 0.0302 0.2891 0.6597
Schistosoma mansoni hypothetical protein 0.0042 0.0222 0.0759
Loa Loa (eye worm) hypothetical protein 0.004 0.0197 0.0432
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1074 0.3788
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.0298 0.0286
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0011
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0197 0.027
Loa Loa (eye worm) hypothetical protein 0.0096 0.077 0.1743
Brugia malayi beta-lactamase family protein 0.004 0.0197 0.0421
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0064 0.0001
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0096 0.077 0.0757
Loa Loa (eye worm) beta-lactamase 0.004 0.0197 0.0432
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0447 0.4375 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0163 0.1457 1
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.0973 0.2208
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0082 0.0628 0.2203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0168 0.0211
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0168 0.0211
Loa Loa (eye worm) latrophilin receptor protein 2 0.0096 0.077 0.1743
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0172 0.0159
Loa Loa (eye worm) hypothetical protein 0.0025 0.0043 0.008
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1242 0.4256
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0093 0.006
Plasmodium vivax SET domain protein, putative 0.0064 0.0446 0.2849
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0163 0.1457 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0029 0.0015
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.022 0.0628
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.0029 0.0103
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.1074 0.244
Brugia malayi jmjC domain containing protein 0.0039 0.0185 0.0394
Brugia malayi Matrixin family protein 0.003 0.0094 0.0185
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.0298 0.0906
Brugia malayi jmjC domain containing protein 0.0099 0.0808 0.1821
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0055 0.0351 0.0338
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.022 0.0628
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0197 0.028
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0185 0.0629
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0013 0.0011
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0572 0.2002
Echinococcus granulosus GPCR family 2 0.0096 0.077 0.0757
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0298 0.0654
Brugia malayi Probable ClpP-like protease 0.0163 0.1457 0.3309
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0194 0.0265
Echinococcus granulosus histone lysine methyltransferase setb 0.0082 0.0628 0.0616
Brugia malayi Matrixin family protein 0.003 0.0094 0.0185
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0055 0.0351 0.0338
Loa Loa (eye worm) hypothetical protein 0.0163 0.1457 0.3317
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0197 0.027

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1158 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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