Detailed information for compound 90246

Basic information

Technical information
  • TDR Targets ID: 90246
  • Name: [1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl ]piperazin-1-yl]propan-2-yl] acetate
  • MW: 521.641 | Formula: C31H37F2N3O2
  • H donors: 1 H acceptors: 1 LogP: 6.04 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)OC(CN1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F)CNc1ccccc1
  • InChi: 1S/C31H37F2N3O2/c1-24(37)38-30(22-34-29-6-3-2-4-7-29)23-36-20-18-35(19-21-36)17-5-8-31(25-9-13-27(32)14-10-25)26-11-15-28(33)16-12-26/h2-4,6-7,9-16,30-31,34H,5,8,17-23H2,1H3
  • InChiKey: XSOJJKZGFTXNMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-(anilinomethyl)-2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl] acetate
  • acetic acid [1-(anilinomethyl)-2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]ethyl] ester
  • [1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylazanyl-propan-2-yl] ethanoate
  • acetic acid [1-(anilinomethyl)-2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazino]ethyl] ester
  • [1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(phenylamino)propan-2-yl] acetate
  • [1-[[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]methyl]-2-(phenylamino)ethyl] acetate
  • acetic acid [1-[[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]methyl]-2-(phenylamino)ethyl] ester
  • acetic acid [1-[[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]methyl]-2-(phenylamino)ethyl] ester
  • [1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(phenylamino)propan-2-yl] ethanoate

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi beta-lactamase family protein 0.0192 0.143 0.7379
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0191 0.2527
Echinococcus multilocularis geminin 0.0353 0.2773 0.4924
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0053 0.028 0.1955
Toxoplasma gondii HEAT repeat-containing protein 0.0065 0.0382 0.2673
Mycobacterium tuberculosis Probable lipase LipE 0.0192 0.143 0.143
Entamoeba histolytica hypothetical protein 0.0053 0.028 0.3701
Echinococcus multilocularis beta LACTamase domain containing family member 0.0192 0.143 0.2539
Entamoeba histolytica hypothetical protein 0.0039 0.0163 0.2158
Brugia malayi RNA, U transporter 1 0.0186 0.1382 0.7134
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0252 0.0447
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.003 0.0152
Echinococcus granulosus Squalene phytoene synthase 0.014 0.1005 0.1785
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0252 0.0447
Echinococcus granulosus snurportin 1 0.0698 0.5632 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0271 0.14
Giardia lamblia PHD finger protein 15 0.0031 0.01 0.1318
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0223 0.0396
Entamoeba histolytica Ran family GTPase 0.0048 0.0239 0.3163
Trichomonas vaginalis D-aminoacylase, putative 0.0192 0.143 1
Plasmodium falciparum importin beta, putative 0.0065 0.0382 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0163 0.029
Loa Loa (eye worm) MBCTL1 0.0057 0.0309 0.0548
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.003 0.0052
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0052
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.003 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.003 0.0052
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0192 0.143 0.143
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0115 0.0797 0.4113
Trypanosoma brucei importin beta-1 subunit, putative 0.0065 0.0382 0.1068
Loa Loa (eye worm) hypothetical protein 0.0192 0.143 0.2539
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.011 0.0755 0.211
Brugia malayi Importin beta-1 subunit 0.0065 0.0382 0.1972
Loa Loa (eye worm) hypothetical protein 0.0192 0.143 0.2539
Mycobacterium tuberculosis Probable esterase LipL 0.0192 0.143 0.143
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.0691 0.1227
Brugia malayi jmjC domain containing protein 0.0103 0.0691 0.3566
Trypanosoma brucei importin beta-1 subunit, putative 0.0065 0.0382 0.1068
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0252 0.1585
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.003 0.0052
Mycobacterium ulcerans beta-lactamase 0.0192 0.143 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0048 0.0239 0.1671
Loa Loa (eye worm) hypothetical protein 0.0031 0.01 0.0177
Brugia malayi Bromodomain containing protein 0.0035 0.0131 0.0678
Onchocerca volvulus Serine\/threonine kinase homolog 0.011 0.0755 0.5183
Plasmodium vivax hypothetical protein, conserved 0.0031 0.01 0.0696
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.01 0.0177
Loa Loa (eye worm) hypothetical protein 0.0115 0.0797 0.1415
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0516 0.0916
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0252 0.0447
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0157 0.1143 0.2029
Loa Loa (eye worm) hypothetical protein 0.0192 0.143 0.2539
Trypanosoma brucei hypothetical protein, conserved 0.0192 0.143 0.3995
Trichomonas vaginalis esterase, putative 0.0192 0.143 1
Echinococcus granulosus importin subunit beta 1 0.0065 0.0382 0.0679
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.003 0.0052
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.003 0.0052
Loa Loa (eye worm) hypothetical protein 0.0192 0.143 0.2539
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0199 0.1495 0.2655
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0755 0.5283
Mycobacterium ulcerans phytoene synthase, CrtB 0.014 0.1005 0.7031
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0309 0.0548
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0201 0.0358
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0252 0.0447
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.003 0.0052
Loa Loa (eye worm) hypothetical protein 0.0054 0.0285 0.0507
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.068 0.1207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.068 0.1207
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0223 0.1558
Schistosoma mansoni importin beta-1 0.0065 0.0382 0.0679
Loa Loa (eye worm) hypothetical protein 0.005 0.0252 0.0447
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.003 0.0052
Echinococcus multilocularis peregrin 0.0035 0.0131 0.0233
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.01 0.0177
Echinococcus granulosus geminin 0.0353 0.2773 0.4924
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.1938 0.3441
Brugia malayi acetyltransferase, GNAT family protein 0.0157 0.1143 0.5897
Brugia malayi jmjC domain containing protein 0.0038 0.0154 0.0796
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0223 0.1558
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.003 0.0152
Trypanosoma cruzi importin beta-1 subunit, putative 0.0053 0.028 0.0781
Mycobacterium ulcerans lipase LipD 0.0192 0.143 1
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0252 0.0447
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.003 0.0052
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.0691 0.1227
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.068 0.1207
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0048 0.0239 0.0424
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0052
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0271 0.0482
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.003 0.0052
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0755 0.5283
Echinococcus granulosus beta LACTamase domain containing family member 0.0192 0.143 0.2539
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0252 0.0447
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.003 0.0052
Entamoeba histolytica hypothetical protein 0.0039 0.0163 0.2158
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.003 0.0152
Echinococcus granulosus FTZ F1 alpha 0.0458 0.3643 0.6469
Leishmania major GTP-binding protein, putative 0.0048 0.0239 0.0667
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0154 0.0274
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.068 0.1207
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0048 0.0239 0.1671
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0115 0.0797 0.1415
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.003 0.0052
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.003 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.003 0.0052
Trypanosoma cruzi hypothetical protein, conserved 0.0192 0.143 0.3995
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0115 0.0797 0.1415
Trypanosoma brucei squalene synthase, putative 0.0451 0.358 1
Brugia malayi MH2 domain containing protein 0.0253 0.1938 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.003 0.0152
Echinococcus multilocularis importin subunit beta 1 0.0065 0.0382 0.0679
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0192 0.143 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0192 0.143 0.143
Brugia malayi serine/threonine-protein kinase plk-2 0.011 0.0755 0.3898
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0755 0.5283
Trichomonas vaginalis ran, putative 0.0048 0.0239 0.1671
Loa Loa (eye worm) hypothetical protein 0.0065 0.0382 0.0679
Echinococcus multilocularis snurportin 1 0.0698 0.5632 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.068 0.1207
Entamoeba histolytica hypothetical protein 0.0039 0.0163 0.2158
Entamoeba histolytica serine/threonine protein kinase, putative 0.011 0.0755 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0698 0.5632 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0755 0.5283
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.0755 0.211
Mycobacterium ulcerans esterase/lipase LipP 0.0192 0.143 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.003 0.0152
Schistosoma mansoni ran 0.0048 0.0239 0.0424
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0309 0.0548
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0154 0.0274
Schistosoma mansoni kinase 0.0056 0.0305 0.0542
Schistosoma mansoni hypothetical protein 0.0036 0.0135 0.0239
Schistosoma mansoni hypothetical protein 0.0031 0.01 0.0177
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0755 0.5283
Trichomonas vaginalis importin beta-1, putative 0.0053 0.028 0.1955
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0135 0.0695
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0163 0.029
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0154 0.0274
Schistosoma mansoni hypothetical protein 0.0353 0.2773 0.4924
Entamoeba histolytica hypothetical protein 0.0039 0.0163 0.2158
Onchocerca volvulus 0.0192 0.143 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.003 0.0152
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0755 0.5283
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0252 0.0447
Onchocerca volvulus Alhambra homolog 0.0031 0.01 0.05
Leishmania major hypothetical protein, conserved 0.0192 0.143 0.3995
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.003 0.0152
Trypanosoma cruzi hypothetical protein, conserved 0.0192 0.143 0.3995
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.003 0.0052
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.014 0.1005 0.6968
Loa Loa (eye worm) hypothetical protein 0.0052 0.0271 0.0482
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0223 0.1558
Trypanosoma cruzi squalene synthase, putative 0.0451 0.358 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0157 0.1143 0.2029
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0223 0.1558
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0192 0.143 0.2539
Echinococcus granulosus histone acetyltransferase KAT2B 0.0153 0.1106 0.1964
Schistosoma mansoni ran 0.0048 0.0239 0.0424
Trichomonas vaginalis penicillin-binding protein, putative 0.0192 0.143 1
Leishmania major importin beta-1 subunit, putative 0.0053 0.028 0.0781
Brugia malayi steroid hormone receptor 0.0023 0.003 0.0152
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.068 0.1207
Mycobacterium tuberculosis Conserved protein 0.0192 0.143 0.143
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.003 0.0152
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.01 0.0177
Schistosoma mansoni hypothetical protein 0.0306 0.2376 0.4219
Plasmodium vivax importin-beta 2, putative 0.0065 0.0382 0.2673
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.01 0.0696
Mycobacterium leprae Probable lipase LipE 0.0192 0.143 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.003 0.0152
Echinococcus multilocularis Squalene phytoene synthase 0.014 0.1005 0.1785
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0192 0.143 0.143
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0271 0.14
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.011 0.0755 0.1341
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0052
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0048 0.0239 0.6252
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.003 0.0152
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0052
Echinococcus granulosus serine:threonine protein kinase PLK1 0.011 0.0755 0.1341
Brugia malayi beta-lactamase 0.0192 0.143 0.7379
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0048 0.0239 0.0667
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0755 0.5283
Brugia malayi beta-lactamase family protein 0.0192 0.143 0.7379
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0052
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0309 0.1592
Giardia lamblia Kinase, PLK 0.011 0.0755 1
Schistosoma mansoni hypothetical protein 0.0092 0.0607 0.1078
Trichomonas vaginalis D-aminoacylase, putative 0.0192 0.143 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0154 0.0274
Leishmania major squalene synthase, putative 0.0451 0.358 1
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0154 0.0274
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0309 0.0548
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.003 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.003 0.0052
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.003 0.0052
Schistosoma mansoni nuclear hormone receptor 0.0023 0.003 0.0052
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.003 0.0052
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.003 0.0052
Brugia malayi mbt repeat family protein 0.005 0.0252 0.1298
Loa Loa (eye worm) hypothetical protein 0.0036 0.0135 0.0239
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0192 0.143 0.2539
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.003 0.0052
Trypanosoma cruzi squalene synthase, putative 0.0451 0.358 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0115 0.0797 0.1415
Onchocerca volvulus 0.0192 0.143 1
Trypanosoma brucei polo-like protein kinase 0.011 0.0755 0.211
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.003 0.0052
Brugia malayi nuclear receptor NHR-88 0.0023 0.003 0.0152
Mycobacterium tuberculosis Conserved protein 0.0192 0.143 0.143
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0048 0.0239 0.0424
Schistosoma mansoni thyroid hormone receptor 0.0023 0.003 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.003 0.0152
Echinococcus granulosus GTP binding nuclear protein Ran 0.0048 0.0239 0.0424
Trypanosoma cruzi phytoene synthase, putative 0.014 0.1005 0.2808
Toxoplasma gondii ABC1 family protein 0.0192 0.143 1
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.1938 0.3441
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.011 0.0755 0.1341
Loa Loa (eye worm) acetyltransferase 0.0157 0.1143 0.2029
Plasmodium vivax hypothetical protein, conserved 0.0192 0.143 1
Mycobacterium ulcerans hypothetical protein 0.0192 0.143 1
Mycobacterium tuberculosis Conserved protein 0.0192 0.143 0.143
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.003 0.0152
Schistosoma mansoni coup transcription factor 0.0023 0.003 0.0052
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0309 0.0548
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.014 0.1005 0.1005
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0199 0.1495 0.2655
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0048 0.0239 0.1233
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0191 0.2527
Brugia malayi nuclear hormone receptor 0.0023 0.003 0.0152
Leishmania major hypothetical protein, conserved 0.014 0.1005 0.2808
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.003 0.0052
Loa Loa (eye worm) hypothetical protein 0.014 0.1005 0.1785
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0309 0.0548
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0252 0.0447
Schistosoma mansoni hypothetical protein 0.014 0.1005 0.1785
Mycobacterium leprae conserved hypothetical protein 0.0192 0.143 0.5
Loa Loa (eye worm) beta-lactamase 0.0192 0.143 0.2539
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0048 0.0239 0.0667
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.003 0.0052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.003 0.0152
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.003 0.0052
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.003 0.0052
Schistosoma mansoni hypothetical protein 0.0353 0.2773 0.4924
Onchocerca volvulus 0.0192 0.143 1
Brugia malayi PHD-finger family protein 0.0031 0.01 0.0514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.068 0.1207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.068 0.1207
Trichomonas vaginalis penicillin-binding protein, putative 0.0192 0.143 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.003 0.0152
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0201 0.0358
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.01 0.0696
Brugia malayi mbt repeat family protein 0.005 0.0252 0.1298
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0115 0.0797 0.4113
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0376 0.0668
Schistosoma mansoni hypothetical protein 0.0039 0.0163 0.029
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0163 0.029
Schistosoma mansoni thyroid hormone receptor 0.0023 0.003 0.0052
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0293 0.2049
Loa Loa (eye worm) hypothetical protein 0.0192 0.143 0.2539
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.003 0.0052
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.068 0.3509
Brugia malayi ecdysteroid receptor 0.0023 0.003 0.0152
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0052
Schistosoma mansoni hypothetical protein 0.0698 0.5632 1
Plasmodium falciparum phd finger protein, putative 0.0031 0.01 0.2605
Loa Loa (eye worm) hypothetical protein 0.0057 0.0309 0.0548
Mycobacterium tuberculosis Probable lipase LipD 0.0192 0.143 0.143
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0192 0.143 0.7379
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0191 0.4994
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.003 0.0052
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0293 0.2049
Echinococcus multilocularis FTZ F1 alpha 0.0115 0.0797 0.1415
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.003 0.0052
Loa Loa (eye worm) hypothetical protein 0.0192 0.143 0.2539
Schistosoma mansoni serine/threonine protein kinase 0.011 0.0755 0.1341
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0048 0.0239 0.3163
Onchocerca volvulus 0.005 0.0252 0.1585
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.003 0.0052
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.01 0.0177
Mycobacterium tuberculosis Probable hydrolase 0.0192 0.143 0.143
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0048 0.0239 0.0667
Echinococcus granulosus peregrin 0.0035 0.0131 0.0233
Trichomonas vaginalis D-aminoacylase, putative 0.0192 0.143 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0053 0.028 0.1955
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0223 0.1558
Brugia malayi hypothetical protein 0.0039 0.0163 0.0841
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.0755 0.211
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0192 0.143 0.2539
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13 uM Concentration of the test compound required to inhibit the auto oxidative lipid peroxidations in canine brain homogenates by 50% was determined ChEMBL. 12113815
PD2 (functional) = 6.38 PD2 value was calculated as -log value of the concentration of the test compound to inhibit 60 mM KCl-induced contractions to 50% expressed as calcium antagonistic activity ChEMBL. 12113815

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

1 literature reference was collected for this gene.

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