Detailed information for compound 1508461

Basic information

Technical information
  • TDR Targets ID: 1508461
  • Name: 3-(4-methoxyphenyl)-1-(4-thiophen-2-ylsulfony lpiperazin-1-yl)propan-1-one
  • MW: 394.508 | Formula: C18H22N2O4S2
  • H donors: 0 H acceptors: 3 LogP: 2.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCC(=O)N1CCN(CC1)S(=O)(=O)c1cccs1
  • InChi: 1S/C18H22N2O4S2/c1-24-16-7-4-15(5-8-16)6-9-17(21)19-10-12-20(13-11-19)26(22,23)18-3-2-14-25-18/h2-5,7-8,14H,6,9-13H2,1H3
  • InChiKey: KQCPGBNBTMVILP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-methoxyphenyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one
  • 3-(4-methoxyphenyl)-1-[4-(2-thienylsulfonyl)-1-piperazinyl]propan-1-one
  • ZINC03614147
  • T5375756

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0893 0.1263
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0118 0.0105
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0353 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0593 0.2431
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0014 0.0087 0.0274
Mycobacterium tuberculosis Probable reductase 0.0092 0.1919 0.8837
Schistosoma mansoni hypothetical protein 0.0205 0.4562 0.4518
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.024 0.2678
Brugia malayi intermediate filament protein 0.0027 0.0381 0.1084
Plasmodium falciparum thioredoxin reductase 0.004 0.0706 1
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.2224 0.2178
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0353 0.1002
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0719 0.0663
Loa Loa (eye worm) hypothetical protein 0.0119 0.2547 0.3736
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0289 0.2937
Schistosoma mansoni hypothetical protein 0.0043 0.0779 0.0705
Echinococcus granulosus GPCR family 2 0.0015 0.0118 0.0059
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1121 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.007 0.0033
Schistosoma mansoni cpg binding protein 0.0032 0.0519 0.0443
Echinococcus granulosus intermediate filament protein 0.0027 0.0381 0.0324
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.3519 0.3481
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0593 0.0815
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0381 0.1084
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0817 0.0762
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.007 0.0198
Brugia malayi glutathione reductase 0.004 0.0706 0.2006
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.2262 0.22
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0118 0.0059
Loa Loa (eye worm) hypothetical protein 0.0028 0.0413 0.0545
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0593 0.7009
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0353 0.1002
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0817 0.1149
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0079 0.002
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0593 0.0537
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0289 0.3448
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0413 0.5391
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0593 0.7009
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0092 0.1919 0.8667
Loa Loa (eye worm) hypothetical protein 0.0019 0.0202 0.0231
Leishmania major hypothetical protein, conserved 0.003 0.0473 0.6344
Echinococcus granulosus expressed conserved protein 0.0099 0.2074 0.2027
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0087 0.0274
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0381 0.0498
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0087 0.0274
Loa Loa (eye worm) hypothetical protein 0.0019 0.0202 0.0231
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 0.6739 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0353 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0014 0.0087 0.0274
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0092 0.0066
Echinococcus multilocularis geminin 0.0205 0.4562 0.453
Schistosoma mansoni alpha glucosidase 0.0036 0.0593 0.0518
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0014 0.0087 0.0274
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.2224 0.6319
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0202 0.1864
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0593 0.8229
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0817 0.0762
Loa Loa (eye worm) glutathione reductase 0.004 0.0706 0.0984
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0353 0.4445
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0087 0.0274
Onchocerca volvulus 0.005 0.0927 0.346
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0353 0.128
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0079 0.002
Echinococcus multilocularis Niemann Pick C1 protein 0.015 0.3282 0.3242
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.216 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.1919 0.8837
Echinococcus multilocularis protein patched 0.0045 0.0817 0.0762
Loa Loa (eye worm) hypothetical protein 0.0105 0.2224 0.3252
Schistosoma mansoni hypothetical protein 0.0043 0.0779 0.0705
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0593 0.7009
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0014 0.0087 0.0274
Trichomonas vaginalis ran, putative 0.0021 0.024 0.2281
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3143 0.4625
Entamoeba histolytica hypothetical protein 0.0023 0.0289 0.1018
Plasmodium falciparum glutathione reductase 0.004 0.0706 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0413 0.0356
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0706 1
Toxoplasma gondii thioredoxin reductase 0.004 0.0706 0.5985
Schistosoma mansoni patched 1 0.0045 0.0817 0.0743
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.216 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0353 0.0455
Leishmania major trypanothione reductase 0.004 0.0706 1
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0413 0.3149
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0087 0.0008
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0353 0.1313
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0014 0.0087 0.0274
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0014 0.0087 0.0274
Treponema pallidum NADH oxidase 0.0014 0.0087 0.5
Brugia malayi CXXC zinc finger family protein 0.0031 0.0478 0.1358
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0473 0.6241
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0118 0.0059
Echinococcus multilocularis protein dispatched 1 0.0051 0.0966 0.0912
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.3519 0.3481
Brugia malayi Thioredoxin reductase 0.004 0.0706 0.2006
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0353 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0118 0.0335
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.024 1
Echinococcus multilocularis expressed conserved protein 0.0099 0.2074 0.2027
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3143 0.4625
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0087 0.0274
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0381 0.0498
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0202 0.4346
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0473 0.6344
Schistosoma mansoni ran 0.0021 0.024 0.0162
Echinococcus multilocularis tumor protein p63 0.034 0.774 0.7727
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0014 0.0087 0.0274
Onchocerca volvulus 0.0031 0.0478 0.1648
Trichomonas vaginalis mercuric reductase, putative 0.0014 0.0087 0.0233
Loa Loa (eye worm) hypothetical protein 0.005 0.0927 0.1314
Schistosoma mansoni importin beta-1 0.0028 0.0413 0.0336
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0039
Echinococcus multilocularis lamin 0.0027 0.0381 0.0324
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0706 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0087 0.0274
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.024 0.0182
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0817 0.0762
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0353 1
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0092 0.0262
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0353 0.4445
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0593 0.8229
Schistosoma mansoni alpha-glucosidase 0.0138 0.2996 0.294
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0178 0.0439
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0893 0.2538
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0353 0.4445
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0039
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.2224 0.2178
Trypanosoma brucei glucosidase, putative 0.0036 0.0593 0.8229
Brugia malayi hypothetical protein 0.002 0.022 0.0626
Leishmania major GTP-binding protein, putative 0.0021 0.024 0.2678
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.1919 0.8837
Echinococcus granulosus lamin 0.0027 0.0381 0.0324
Onchocerca volvulus 0.0027 0.0381 0.1258
Loa Loa (eye worm) hypothetical protein 0.0045 0.0817 0.1149
Plasmodium falciparum importin beta, putative 0.0028 0.0413 0.5261
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.3519 0.3481
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.024 0.2472
Onchocerca volvulus 0.0027 0.0381 0.1258
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.216 1
Onchocerca volvulus 0.0025 0.0353 0.1141
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0817 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.024 0.0182
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.1284 0.1214
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0289 0.2937
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.024 0.2678
Loa Loa (eye worm) hypothetical protein 0.0015 0.0118 0.0105
Echinococcus granulosus lamin dm0 0.0027 0.0381 0.0324
Echinococcus granulosus snurportin 1 0.0297 0.6739 0.672
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0353 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0719 0.0663
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0473 0.6241
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.216 1
Echinococcus multilocularis lamin dm0 0.0027 0.0381 0.0324
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.024 0.148
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0014 0.0087 0.0274
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0087 0.0028
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0473 0.6344
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0593 0.4895
Loa Loa (eye worm) hypothetical protein 0.003 0.0473 0.0636
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0706 0.0984
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.1919 0.8837
Brugia malayi RNA, U transporter 1 0.0079 0.1618 0.4598
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0927 0.0855
Loa Loa (eye worm) hypothetical protein 0.0119 0.2547 0.3736
Brugia malayi Importin beta-1 subunit 0.0028 0.0413 0.1173
Schistosoma mansoni hypothetical protein 0.0033 0.0534 0.0459
Loa Loa (eye worm) hypothetical protein 0.0033 0.0534 0.0727
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0593 0.7009
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0178 0.0439
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0039
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0289 0.2937
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.1919 0.8837
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0014 0.0087 0.0274
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0353 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0118 0.0335
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0039
Plasmodium vivax glutathione reductase, putative 0.004 0.0706 1
Onchocerca volvulus 0.0093 0.1934 0.7523
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0413 0.0356
Loa Loa (eye worm) hypothetical protein 0.0055 0.1055 0.1505
Onchocerca volvulus Huntingtin homolog 0.0119 0.2547 1
Schistosoma mansoni hypothetical protein 0.0043 0.0779 0.0705
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0473 0.6344
Loa Loa (eye worm) hypothetical protein 0.0025 0.0353 0.0455
Brugia malayi hypothetical protein 0.0119 0.2547 0.7239
Trypanosoma cruzi trypanothione reductase, putative 0.0014 0.0087 0.0274
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0014 0.0087 0.0274
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0413 0.5391
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0706 0.2985
Brugia malayi MH2 domain containing protein 0.0144 0.3143 0.893
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0593 0.7009
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0478 0.0643
Echinococcus multilocularis musashi 0.0027 0.0381 0.0324
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0087 0.0274
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0353 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.024 0.2678
Mycobacterium ulcerans hypothetical protein 0.0025 0.0353 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0473 0.6241
Entamoeba histolytica Ran family GTPase 0.0021 0.024 0.0791
Echinococcus granulosus cpg binding protein 0.0032 0.0519 0.0462
Schistosoma mansoni hypothetical protein 0.0043 0.0779 0.0705
Loa Loa (eye worm) hypothetical protein 0.0019 0.0202 0.0231
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.024 0.0287
Echinococcus granulosus Niemann Pick C1 protein 0.015 0.3282 0.3242
Schistosoma mansoni hypothetical protein 0.0205 0.4562 0.4518
Echinococcus multilocularis GPCR, family 2 0.0015 0.0118 0.0059
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0178 0.0439
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0087 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0087 0.0248
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0353 0.1002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0893 0.2538
Schistosoma mansoni lamin 0.0027 0.0381 0.0304
Echinococcus multilocularis cpg binding protein 0.0032 0.0519 0.0462
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0534 0.1518
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0087 0.5
Schistosoma mansoni lamin 0.0027 0.0381 0.0304
Leishmania major importin beta-1 subunit, putative 0.0023 0.0289 0.3448
Schistosoma mansoni ran 0.0021 0.024 0.0162
Trichomonas vaginalis glutathione reductase, putative 0.0014 0.0087 0.0233
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0593 0.2431
Loa Loa (eye worm) hypothetical protein 0.0026 0.037 0.0481
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.2224 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0353 0.0455
Schistosoma mansoni cpg binding protein 0.0032 0.0519 0.0443
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0202 0.1864
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0353 0.1313
Schistosoma mansoni hypothetical protein 0.0297 0.6739 0.6713
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.1919 0.8837
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0118 0.0059
Trypanosoma brucei trypanothione reductase 0.004 0.0706 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0087 0.0028
Brugia malayi CHE-14 protein 0.0045 0.0817 0.2321
Brugia malayi hypothetical protein 0.003 0.0473 0.1345
Loa Loa (eye worm) hypothetical protein 0.0013 0.0059 0.0017
Echinococcus granulosus geminin 0.0205 0.4562 0.453
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.3519 0.5188
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0593 0.0537
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0593 0.1686
Loa Loa (eye worm) hypothetical protein 0.0048 0.0893 0.1263
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0353 0.128
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0593 0.7009
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0593 0.7009
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.024 0.0682
Echinococcus multilocularis snurportin 1 0.0297 0.6739 0.672
Schistosoma mansoni cpg binding protein 0.0031 0.0478 0.0402
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0473 0.3735
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0353 0.1313
Schistosoma mansoni alpha-glucosidase 0.0138 0.2996 0.294
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0593 0.8229
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0593 0.7009
Echinococcus granulosus tumor protein p63 0.034 0.774 0.7727
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0593 0.7009
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0118 0.0059
Loa Loa (eye worm) hypothetical protein 0.0027 0.0381 0.0498
Loa Loa (eye worm) hypothetical protein 0.0019 0.0202 0.0231
Plasmodium vivax importin-beta 2, putative 0.0028 0.0413 0.5261
Loa Loa (eye worm) hypothetical protein 0.0019 0.0202 0.0231
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0202 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0202 0.0556
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0178 0.0439
Schistosoma mansoni intermediate filament proteins 0.0027 0.0381 0.0304
Onchocerca volvulus Huntingtin homolog 0.0119 0.2547 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.024 0.2472
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.3519 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5805 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 29.0929 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.