Detailed information for compound 1268857

Basic information

Technical information
  • TDR Targets ID: 1268857
  • Name: 3-chloro-4-[4-[2-(2-hydroxyethoxy)ethyl]piper azin-1-yl]-1-(3-methoxyphenyl)pyrrole-2,5-dio ne
  • MW: 409.864 | Formula: C19H24ClN3O5
  • H donors: 1 H acceptors: 3 LogP: 1.16 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)OC
  • InChi: 1S/C19H24ClN3O5/c1-27-15-4-2-3-14(13-15)23-18(25)16(20)17(19(23)26)22-7-5-21(6-8-22)9-11-28-12-10-24/h2-4,13,24H,5-12H2,1H3
  • InChiKey: JXZWAURCOUUCPP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-chloro-4-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]-1-(3-methoxyphenyl)pyrrole-2,5-dione
  • 3-chloro-4-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-1-(3-methoxyphenyl)-3-pyrroline-2,5-quinone
  • MLS-0111716.0001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus B cell leukemia/lymphoma 2 related protein A1a 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.01 0.0161 0.0161
Entamoeba histolytica hypothetical protein 0.022 0.0431 0.1182
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0005 0.0006
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0074 0.0102 0.0149
Brugia malayi RNA binding protein 0.0069 0.0092 0.0247
Entamoeba histolytica hypothetical protein 0.0106 0.0173 0.0466
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0354 0.0734 0.196
Brugia malayi glutathione reductase 0.0038 0.0021 0.0052
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0106 0.0173 0.0171
Leishmania major phosphatidylinositol 3-kinase, putative 0.0263 0.0529 0.1398
Schistosoma mansoni hypothetical protein 0.01 0.0161 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0431 0.0751
Loa Loa (eye worm) calpain family protein 1 0.005 0.0047 0.0074
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0046 0.0206
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Echinococcus granulosus integrin alpha ps 0.004 0.0026 0.0026
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0119 0.0204 1
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0106 0.0173 0.0254
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.1074 0.2361 0.2361
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0584 0.1252 0.3142
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0119 0.0204 0.0503
Loa Loa (eye worm) hypothetical protein 0.005 0.0047 0.0074
Leishmania major hypothetical protein, conserved 0.0049 0.0046 0.007
Loa Loa (eye worm) hypothetical protein 0.0134 0.0237 0.0391
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0584 0.1252 0.3462
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0263 0.0529 0.0527
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0106 0.0173 0.0171
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0263 0.0529 0.1455
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0106 0.0173 0.0173
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0354 0.0734 0.1087
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0022 0.002
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0005 0.0005
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0354 0.0734 0.1986
Trichomonas vaginalis conserved hypothetical protein 0.024 0.0476 0.0881
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Echinococcus multilocularis neuropeptide receptor A26 0.0907 0.1983 0.1981
Loa Loa (eye worm) hypothetical protein 0.0114 0.0193 0.0317
Schistosoma mansoni integrin beta subunit 0.0763 0.1657 0.2462
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0106 0.0173 0.1235
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0816 0.1776 1
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0106 0.0173 0.3238
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0354 0.0734 0.5786
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0354 0.0734 0.196
Loa Loa (eye worm) hypothetical protein 0.0208 0.0405 0.0671
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.0204 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0046 0.05
Brugia malayi calpain family protein 1 0.0071 0.0094 0.0255
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0354 0.0734 0.196
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.0204 0.0299
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0354 0.0734 0.1986
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1627 0.3608 1
Echinococcus granulosus GPCR family 2 0.0031 0.0005 0.0005
Mycobacterium tuberculosis Conserved hypothetical protein 0.0106 0.0173 0.832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Loa Loa (eye worm) phosphatidylinositol 3 0.0106 0.0173 0.0284
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0106 0.0173 0.2334
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0046 0.0602
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0156 0.0425
Schistosoma mansoni hypothetical protein 0.0106 0.0173 0.0254
Schistosoma mansoni apoptosis regulator bax 0.01 0.0161 0.0235
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1627 0.3608 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0354 0.0734 0.2022
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0106 0.0173 0.2991
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0134 0.0237 0.0237
Echinococcus granulosus neuropeptide receptor A26 0.0907 0.1983 0.1983
Echinococcus multilocularis neuropeptide s receptor 0.0907 0.1983 0.1981
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.0154 0.725
Echinococcus multilocularis 0.0106 0.0173 0.0171
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1074 0.2361 0.6541
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.022 0.0431 0.1188
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0431 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0431 0.0751
Loa Loa (eye worm) hypothetical protein 0.0031 0.0005 0.0004
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.0204 0.0299
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0092 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.022 0.0431 0.1143
Loa Loa (eye worm) hypothetical protein 0.1074 0.2361 0.3931
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0074 0.0102 0.0149
Loa Loa (eye worm) hypothetical protein 0.0552 0.1182 0.1966
Echinococcus granulosus serine:threonine protein kinase SMG1 0.022 0.0431 0.0431
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0156 0.0255
Loa Loa (eye worm) phosphatidylinositol kinase 0.0106 0.0173 0.0284
Echinococcus multilocularis Zinc finger, PHD finger 0.0263 0.0529 0.0527
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0478 0.1014 0.2768
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.0132 0.6048
Leishmania major phosphatidylinositol 4-kinase, putative 0.0106 0.0173 0.0418
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4458 1 1
Schistosoma mansoni hypothetical protein 0.0067 0.0086 0.0124
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0106 0.0173 0.0254
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0263 0.0529 0.1398
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0086 0.0231
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0263 0.0529 0.1417
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0263 0.0529 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1381 0.3052 0.8459
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0106 0.0173 0.3238
Brugia malayi Muscleblind-like protein 0.0691 0.1494 0.4137
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0426 0.0896 0.4509
Schistosoma mansoni hypothetical protein 0.0031 0.0005 0.0003
Onchocerca volvulus 0.005 0.0047 0.0945
Echinococcus granulosus calpain A 0.0074 0.0102 0.0102
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0106 0.0173 0.2334
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0114 0.0193 0.0478
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0005 0.0005
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1307 0.2885 0.7993
Brugia malayi hypothetical protein 0.0032 0.0007 0.0012
Toxoplasma gondii FATC domain-containing protein 0.022 0.0431 0.5861
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.0154 0.5289
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1136 0.2499 0.6773
Brugia malayi FAT domain containing protein 0.0134 0.0237 0.0651
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0134 0.0237 0.0235
Trichomonas vaginalis set domain proteins, putative 0.0238 0.0472 0.087
Leishmania major phosphatidylinositol kinase related protein, putative 0.0106 0.0173 0.0418
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0354 0.0734 0.5786
Loa Loa (eye worm) integrin alpha pat-2 0.0089 0.0136 0.0222
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0106 0.0173 0.0473
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.0005 0.0004
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.024 0.0476 0.3692
Loa Loa (eye worm) phosphatidylinositol 3 0.2687 0.6003 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0263 0.0529 0.7208
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0431 0.0751
Echinococcus multilocularis geminin 0.0171 0.0321 0.0319
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.022 0.0431 0.3329
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0263 0.0529 0.0784
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0584 0.1252 0.3467
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.0132 0.6048
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0354 0.0734 0.0734
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Loa Loa (eye worm) hypothetical protein 0.0071 0.0094 0.0153
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.0193 0.0057
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0074 0.0102 0.0102
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.01 0.0161 0.0161
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.01 0.0161 0.0235
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0263 0.0529 0.1455
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0584 0.1252 0.3462
Onchocerca volvulus 0.0238 0.0472 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.1074 0.2361 0.2359
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1627 0.3608 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.0132 0.6048
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0354 0.0734 0.2022
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0263 0.0529 0.0529
Loa Loa (eye worm) hypothetical protein 0.01 0.0161 0.0264
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.3008 0.6726 1
Schistosoma mansoni hypothetical protein 0.0031 0.0005 0.0003
Schistosoma mansoni hypothetical protein 0.01 0.0161 0.0235
Echinococcus granulosus serine protein kinase ATM 0.022 0.0431 0.0431
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0106 0.0173 0.1235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0021 0.0353
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0074 0.0102 0.01
Brugia malayi Pre-SET motif family protein 0.0209 0.0407 0.1121
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0106 0.0173 0.0424
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0431 0.0751
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0106 0.0173 0.3238
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0068 0.0088 0.0238
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0754 0.1638 0.4532
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Entamoeba histolytica hypothetical protein 0.0106 0.0173 0.0466
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0092 0.0089
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1627 0.3608 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0263 0.0529 0.0878
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0021 0.0031
Leishmania major phosphatidylinositol 3-kinase, putative 0.0354 0.0734 0.196
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0106 0.0173 0.0466
Echinococcus multilocularis integrin alpha ps 0.004 0.0026 0.0023
Brugia malayi Kelch motif family protein 0.0208 0.0405 0.1117
Loa Loa (eye worm) glutathione reductase 0.0038 0.0021 0.0031
Loa Loa (eye worm) hypothetical protein 0.0067 0.0086 0.0139
Loa Loa (eye worm) hypothetical protein 0.0068 0.0088 0.0143
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0354 0.0734 0.0734
Entamoeba histolytica protein kinase rad3, putative 0.022 0.0431 0.1182
Loa Loa (eye worm) hypothetical protein 0.0098 0.0156 0.0255
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0584 0.1252 0.3433
Brugia malayi hypothetical protein 0.0208 0.0405 0.1117
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.3008 0.6726 0.6726
Loa Loa (eye worm) calpain family protein 1 0.0071 0.0094 0.0153
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.022 0.0431 0.1188
Mycobacterium tuberculosis Probable reductase 0.0087 0.0132 0.6048
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0263 0.0529 0.1037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.0193 0.0057
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0119 0.0204 0.0204
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.0204 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Loa Loa (eye worm) hypothetical protein 0.005 0.0047 0.0074
Loa Loa (eye worm) phosphatidylinositol 3 0.0354 0.0734 0.1218
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0071 0.0094 0.0137
Schistosoma mansoni hypothetical protein 0.0031 0.0005 0.0004
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1627 0.3608 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0092 0.0133
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.022 0.0431 0.0429
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0106 0.0173 0.2991
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0106 0.0173 0.2334
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0005 0.0002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0354 0.0734 0.2028
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0106 0.0173 0.0473
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0092 0.0149
Toxoplasma gondii thioredoxin reductase 0.0038 0.0021 0.0254
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0431 0.0751
Brugia malayi calpain family protein 1 0.0071 0.0094 0.0255
Schistosoma mansoni integrin alpha 0.004 0.0026 0.0035
Plasmodium vivax hypothetical protein 0.0106 0.0173 0.3238
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0106 0.0173 0.0473
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0002 0.0002
Echinococcus granulosus integrin beta 2 0.0971 0.2128 0.2128
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.0005 0.0005
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.0154 0.725
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0156 0.0425
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Leishmania major phosphatidylinositol kinase, putative 0.0106 0.0173 0.0418
Brugia malayi Integrin beta pat-3 precursor 0.1326 0.293 0.8119
Toxoplasma gondii aldehyde dehydrogenase 0.0119 0.0204 0.2754
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0046 0.0071
Loa Loa (eye worm) hypothetical protein 0.0106 0.0173 0.0284
Brugia malayi hypothetical protein 0.0031 0.0005 0.0007
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1627 0.3608 1
Echinococcus multilocularis integrin alpha ps 0.004 0.0026 0.0023
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0092 0.0133
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1627 0.3608 1
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.01 0.0161 0.0158
Schistosoma mansoni hypothetical protein 0.0171 0.0321 0.0474
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.022 0.0431 0.1143
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0263 0.0529 0.0529
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0263 0.0529 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0005 0.0002
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.0005 0.0003
Echinococcus granulosus geminin 0.0171 0.0321 0.0321
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0354 0.0734 0.196
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0354 0.0734 0.1087
Schistosoma mansoni hypothetical protein 0.0031 0.0005 0.0003
Entamoeba histolytica hypothetical protein 0.1307 0.2885 0.7993
Loa Loa (eye worm) hypothetical protein 0.0049 0.0046 0.0073
Onchocerca volvulus 0.0106 0.0173 0.3636
Onchocerca volvulus 0.0106 0.0173 0.3636
Brugia malayi Thioredoxin reductase 0.0038 0.0021 0.0052
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0702 0.152 0.1518
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.022 0.0431 0.0637
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0584 0.1252 0.1859
Trypanosoma cruzi hypothetical protein, conserved 0.1543 0.3419 0.9472
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0208 0.0405 0.0671
Loa Loa (eye worm) hypothetical protein 0.024 0.0476 0.0789
Brugia malayi hypothetical protein 0.0049 0.0046 0.0122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0584 0.1252 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0263 0.0529 0.1461
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0046 0.0835
Loa Loa (eye worm) phosphatidylinositol 3 0.0478 0.1014 0.1686
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0119 0.0204 0.0201
Brugia malayi Integrin alpha pat-2 precursor 0.004 0.0026 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.3008 0.6726 0.6725
Entamoeba histolytica hypothetical protein 0.0106 0.0173 0.0466
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Trypanosoma cruzi target of rapamycin kinase 3 0.0354 0.0734 0.1986
Loa Loa (eye worm) RNA binding protein 0.0069 0.0092 0.0149
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0092 0.0133
Schistosoma mansoni hypothetical protein 0.0134 0.0237 0.0349
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.0132 0.6048
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0046 0.0071
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Loa Loa (eye worm) apoptosis regulator protein 0.01 0.0161 0.0264
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0106 0.0173 0.0424
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.0132 0.6048
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0263 0.0529 0.4129
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0106 0.0173 0.1235
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0431 0.0751
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.01 0.0161 0.0158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0106 0.0173 0.0424
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0584 0.1252 0.3142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0584 0.1252 0.3142
Loa Loa (eye worm) phosphatidylinositol 3 0.0106 0.0173 0.0284
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0263 0.0529 0.0784
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0354 0.0734 0.5786
Leishmania major hypothetical protein, unknown function 0.0106 0.0173 0.0418
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0263 0.0529 0.7208
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0106 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.0171 0.0321 0.0474
Echinococcus multilocularis muscleblind protein 0.0691 0.1494 0.1492
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0005 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0092 0.0133
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0354 0.0734 0.5786
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0354 0.0734 0.0731
Echinococcus granulosus muscleblind protein 0.0691 0.1494 0.1494
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0431 0.0751
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0354 0.0734 0.1986
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0263 0.0529 0.1417
Loa Loa (eye worm) phosphatidylinositol 3 0.0354 0.0734 0.1218
Schistosoma mansoni hypothetical protein 0.01 0.0161 0.0235
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.0154 0.725
Mycobacterium leprae conserved hypothetical protein 0.0106 0.0173 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0106 0.0173 0.0284
Trichomonas vaginalis conserved hypothetical protein 0.0134 0.0237 0.0187
Schistosoma mansoni hypothetical protein 0.0031 0.0005 0.0003
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0106 0.0173 0.0424
Echinococcus multilocularis calpain family protein 1, d 0.005 0.0047 0.0044
Echinococcus granulosus neuropeptide s receptor 0.0907 0.1983 0.1983
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0106 0.0173 0.0173
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1521 0.337 0.9339
Giardia lamblia GTOR 0.0354 0.0734 0.3495
Echinococcus multilocularis muscleblind protein 1 0.0691 0.1494 0.1492
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0354 0.0734 0.2028
Echinococcus multilocularis integrin beta 2 0.0971 0.2128 0.2126
Loa Loa (eye worm) hypothetical protein 0.0691 0.1494 0.2486
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0354 0.0734 0.0731
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0046 0.05
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0005 0.0004
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.022 0.0431 0.1182
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1136 0.2499 0.6773
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Loa Loa (eye worm) phosphatidylinositol 3 0.0106 0.0173 0.0284
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0005 0.0006
Loa Loa (eye worm) integrin beta-2 0.1326 0.293 0.4879
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0106 0.0173 0.0254
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.0204 0.5
Echinococcus multilocularis serine protein kinase ATM 0.022 0.0431 0.0429
Schistosoma mansoni fkbp-rapamycin associated protein 0.022 0.0431 0.0637
Leishmania major hypothetical protein, conserved 0.1648 0.3657 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.024 0.0476 0.0881
Toxoplasma gondii target of rapamycin (TOR), putative 0.0354 0.0734 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.024 0.0476 0.6473
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0354 0.0734 0.5786
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.0407 0.0674
Schistosoma mansoni integrin alpha-ps 0.004 0.0026 0.0035
Loa Loa (eye worm) hypothetical protein 0.022 0.0431 0.0714
Loa Loa (eye worm) hypothetical protein 0.0071 0.0094 0.0153
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0092 0.0133
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0022 0.0022
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0092 0.0247
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0263 0.0529 0.1037
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0106 0.0173 0.0424
Echinococcus multilocularis calpain A 0.0074 0.0102 0.01
Plasmodium vivax glutathione reductase, putative 0.0038 0.0021 0.0353
Brugia malayi TAR-binding protein 0.0069 0.0092 0.0247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Loa Loa (eye worm) hypothetical protein 0.0691 0.1494 0.2486
Plasmodium vivax hypothetical protein, conserved 0.0106 0.0173 0.3238
Echinococcus granulosus tar DNA binding protein 0.0069 0.0092 0.0092
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0263 0.0529 0.1037
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.01 0.0161 0.0439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0354 0.0734 0.1986
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.0734 0.1632

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.85 um PUBCHEM_BIOASSAY: In Vitro Bfl-1 Dose Response Fluorescence Polarization Assay for SAR Study. (Class of assay: confirmatory) [Related pubchem assays: 621, 432 ] ChEMBL. No reference
IC50 (binding) = 9.11 um PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibitors of anti-apoptotic protein Bfl-1. (Class of assay: confirmatory) [Related pubchem assays: 432 ] ChEMBL. No reference
IC50 (binding) > 100 um PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confirmatory) 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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