Detailed information for compound 1548650

Basic information

Technical information
  • TDR Targets ID: 1548650
  • Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodiox in-7-yl)-2-pyrimidin-2-ylsulfanylacetamide
  • MW: 356.399 | Formula: C17H16N4O3S
  • H donors: 0 H acceptors: 4 LogP: 1.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN(c1ccc2c(c1)OCCO2)C(=O)CSc1ncccn1
  • InChi: 1S/C17H16N4O3S/c18-5-1-8-21(16(22)12-25-17-19-6-2-7-20-17)13-3-4-14-15(11-13)24-10-9-23-14/h2-4,6-7,11H,1,8-10,12H2
  • InChiKey: IVJQQOBFMSAAHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrimidin-2-ylsulfanyl-acetamide
  • N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyrimidinylthio)acetamide
  • N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-(pyrimidin-2-ylthio)acetamide
  • N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide
  • ZINC03558784
  • T5585809

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 Nuclear hormone receptor family member nhr-31 0.0066 0.0937 0.1123
Echinococcus granulosus phd:f box containing protein 0.0014 0.0055 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0966 0.0916
Echinococcus multilocularis mitogen activated protein kinase 3 0.0044 0.0575 0.0573
Loa Loa (eye worm) jmjC domain-containing protein 0.0014 0.0055 0.0063
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.2343 0.2341
Onchocerca volvulus Huntingtin homolog 0.0129 0.2014 0.4449
Loa Loa (eye worm) hypothetical protein 0.0065 0.0921 0.1102
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0063
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0066 0.0937 0.1592
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0053 0.0719 0.9015
Loa Loa (eye worm) nuclear receptor NHR-67 0.0031 0.0349 0.0416
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0066 0.0937 0.0935
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0066 0.0937 0.1123
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0373 0.032
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0053 0.0719 0.0626
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0066 0.0937 0.1123
Schistosoma mansoni coup transcription factor 0.0066 0.0937 0.0887
Echinococcus granulosus RUN 0.0051 0.0696 0.0694
Brugia malayi jmjC domain containing protein 0.0014 0.0055 0.0065
Brugia malayi jmjC domain containing protein 0.0014 0.0055 0.0065
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0586 0.0584
Loa Loa (eye worm) RNA binding protein 0.0067 0.0966 0.1156
Brugia malayi Nuclear hormone receptor E75 0.0031 0.0349 0.0418
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0066 0.0937 0.0887
Mycobacterium tuberculosis Carboxylesterase LipT 0.0413 0.683 1
Onchocerca volvulus 0.0032 0.0373 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0066 0.0937 0.1123
Brugia malayi nuclear receptor NHR-88 0.0066 0.0937 0.1123
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0373 0.0371
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0057 0.0797 0.0746
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0035 0.0412 0.0359
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0035 0.0412 0.0491
Schistosoma mansoni gliotactin 0.0065 0.0921 0.0871
Loa Loa (eye worm) jmjC domain-containing protein 0.0014 0.0055 0.0063
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0014 0.0055 0.063
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0575 0.0549
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0066 0.0937 0.1121
Brugia malayi Carboxylesterase family protein 0.0065 0.0921 0.1104
Brugia malayi MAP kinase sur-1 0.0044 0.0575 0.0689
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0066 0.0937 0.0935
Echinococcus granulosus tar DNA binding protein 0.0067 0.0966 0.0964
Echinococcus granulosus acetylcholinesterase 0.0163 0.2583 0.2581
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0109 0.168 0.1678
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0726 0.1057
Echinococcus multilocularis nuclear receptor nhr 48 0.0031 0.0349 0.0347
Onchocerca volvulus 0.0031 0.0349 0.0031
Schistosoma mansoni polycystin 1-related 0.0051 0.0696 0.0645
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0719 0.1046
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Brugia malayi nuclear hormone receptor family member nhr-6 0.0031 0.0349 0.0418
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0641 0.059
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0047 0.0612 0.0732
Echinococcus multilocularis tumor protein p63 0.0359 0.5918 0.5917
Echinococcus multilocularis acetylcholinesterase 0.0163 0.2583 0.2581
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0254 0.4134 1
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0575 0.0549
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0066 0.0937 0.0935
Echinococcus multilocularis FTZ F1 alpha 0.0066 0.0937 0.0935
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0057 0.0797 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0254 0.4134 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.0084 0.0082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0066 0.0937 0.1121
Brugia malayi Carboxylesterase family protein 0.0163 0.2583 0.3096
Echinococcus granulosus jun protein 0.0073 0.1062 0.106
Echinococcus granulosus cpg binding protein 0.0032 0.0366 0.0364
Brugia malayi hypothetical protein 0.0031 0.0349 0.0418
Echinococcus multilocularis mitogen activated protein kinase 0.0044 0.0575 0.0573
Echinococcus granulosus mitogen activated protein kinase 3 0.0044 0.0575 0.0573
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0373 0.3858
Echinococcus granulosus thyroid hormone receptor alpha 0.0031 0.0349 0.0347
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0373 0.0371
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0719 0.0668
Schistosoma mansoni hypothetical protein 0.0031 0.0354 0.0301
Trichomonas vaginalis set domain proteins, putative 0.0252 0.4107 0.9929
Brugia malayi photoreceptor-specific nuclear receptor 0.0066 0.0937 0.1123
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0641 0.0639
Loa Loa (eye worm) DR-78 0.0031 0.0349 0.0416
Schistosoma mansoni rab6-interacting 0.0051 0.0696 0.0645
Loa Loa (eye worm) hypothetical protein 0.0032 0.0373 0.0445
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0719 0.1046
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0053 0.0719 0.0717
Brugia malayi nuclear receptor RXR 0.0035 0.0412 0.0494
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0342 0.034
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.2415 0.2896
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0031 0.0349 0.0418
Schistosoma mansoni hypothetical protein 0.0109 0.168 0.1634
Schistosoma mansoni neuroligin 3 (S09 family) 0.0065 0.0921 0.0871
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0066 0.0937 0.1123
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0057 0.0797 0.0953
Plasmodium vivax multidomain scavenger receptor, putative 0.0051 0.0696 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0031 0.0349 0.0296
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0254 0.4134 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0412 0.0491
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0373 0.032
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0966 0.0916
Brugia malayi hypothetical protein 0.0031 0.0354 0.0424
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.0354 0.0352
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0014 0.0055 0.063
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0063
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0053 0.0719 0.0717
Loa Loa (eye worm) hypothetical protein 0.0129 0.2014 0.2413
Echinococcus multilocularis microtubule associated protein 2 0.06 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0066 0.0937 0.0935
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0057 0.0797 0.0795
Loa Loa (eye worm) acetyltransferase 0.0153 0.2415 0.2894
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0715 0.0664
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0066 0.0937 0.0935
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0031 0.0349 0.0296
Plasmodium vivax SET domain protein, putative 0.0032 0.0373 0.4966
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0066 0.0937 0.0887
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0031 0.0349 0.0347
Loa Loa (eye worm) hypothetical protein 0.0066 0.0937 0.1121
Brugia malayi hypothetical protein 0.0035 0.0412 0.0494
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0053 0.0726 0.0724
Brugia malayi nuclear hormone receptor family member odr-7 0.0031 0.0349 0.0418
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0373 0.0371
Loa Loa (eye worm) hypothetical protein 0.0163 0.2583 0.3095
Loa Loa (eye worm) jmjC domain-containing protein 0.0053 0.072 0.0861
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.0412 0.0359
Echinococcus multilocularis para nitrobenzyl esterase 0.0065 0.0921 0.0919
Brugia malayi Carboxylesterase family protein 0.0065 0.0921 0.1104
Loa Loa (eye worm) acetylcholinesterase 1 0.0163 0.2583 0.3095
Loa Loa (eye worm) hypothetical protein 0.0035 0.0412 0.0491
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0641 0.059
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0412 0.0494
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0031 0.0349 0.0031
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0719 0.1046
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.0349 0.0347
Schistosoma mansoni hypothetical protein 0.0059 0.083 0.0779
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0066 0.0937 0.0935
Brugia malayi nuclear hormone receptor 0.0066 0.0937 0.1123
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0066 0.0937 0.1121
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Echinococcus multilocularis lipoxygenase domain containing protein 0.0051 0.0696 0.0694
Echinococcus multilocularis jumonji domain containing 1A 0.0014 0.0055 0.0053
Loa Loa (eye worm) hypothetical protein 0.0066 0.0937 0.1121
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0057 0.0797 0.1172
Brugia malayi MH2 domain containing protein 0.0127 0.1977 0.237
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0368 0.4587
Echinococcus multilocularis jun protein 0.0073 0.1062 0.106
Loa Loa (eye worm) hypothetical protein 0.0035 0.0412 0.0491
Brugia malayi RNA binding protein 0.0067 0.0966 0.1158
Echinococcus multilocularis ecdysone induced protein 78C 0.0066 0.0937 0.0935
Schistosoma mansoni jumonji/arid domain-containing protein 0.0053 0.072 0.0669
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0575 0.0549
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0044 0.0575 0.7197
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0032 0.0368 0.3799
Onchocerca volvulus 0.0031 0.0349 0.0031
Brugia malayi nuclear receptor NHR-67 0.0031 0.0349 0.0418
Echinococcus granulosus carboxylesterase 5A 0.0163 0.2583 0.2581
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0586 0.6435
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0254 0.4134 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0921 0.1102
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0586 0.0578
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0066 0.0937 0.1123
Echinococcus granulosus jumonji domain containing 1A 0.0014 0.0055 0.0053
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0031 0.0349 0.0031
Onchocerca volvulus Huntingtin homolog 0.0129 0.2014 0.4449
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0065 0.0921 0.0919
Schistosoma mansoni rab6-interacting 0.0051 0.0696 0.0645
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0575 0.0523
Schistosoma mansoni lipoxygenase 0.0106 0.1621 0.1575
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0254 0.4134 1
Schistosoma mansoni hypothetical protein 0.0431 0.7138 0.7122
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0254 0.4134 1
Onchocerca volvulus 0.0065 0.0921 0.155
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0057 0.0797 1
Echinococcus multilocularis acetylcholinesterase 0.0163 0.2583 0.2581
Brugia malayi hypothetical protein 0.0057 0.0796 0.0954
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0522 0.7292
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0373 0.032
Brugia malayi hypothetical protein 0.0031 0.0349 0.0418
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0053 0.0726 0.0675
Echinococcus multilocularis lysine specific demethylase 6a 0.0014 0.0055 0.0053
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.1977 0.2368
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0641 0.0769
Loa Loa (eye worm) cytochrome P450 family protein 0.0011 0.0005 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0066 0.0937 0.1121
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0066 0.0937 0.1121
Echinococcus granulosus Polycystic kidney disease protein 0.0051 0.0696 0.0694
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0368 0.4587
Loa Loa (eye worm) hypothetical protein 0.0065 0.0921 0.1102
Echinococcus multilocularis RUN 0.0051 0.0696 0.0694
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0641 0.0767
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0933 0.0883
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.0354 0.0352
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0065 0.0921 0.0936
Echinococcus multilocularis thyroid hormone receptor alpha 0.0175 0.2794 0.2792
Schistosoma mansoni jun-related protein 0.0059 0.083 0.0779
Onchocerca volvulus 0.0252 0.4107 1
Echinococcus multilocularis phd:f box containing protein 0.0014 0.0055 0.0053
Echinococcus multilocularis lipoxygenase domain containing protein 0.0051 0.0696 0.0694
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0066 0.0937 0.0935
Schistosoma mansoni inositol monophosphatase 0.0032 0.0368 0.0315
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0349 0.0347
Loa Loa (eye worm) hypothetical protein 0.0066 0.0937 0.1121
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0032 0.0368 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0412 0.0494
Echinococcus granulosus lipoxygenase domain containing protein 0.0051 0.0696 0.0694
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0349 0.0347
Brugia malayi nuclear receptor NHR-88 0.0031 0.0349 0.0418
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0966 0.0964
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0719 0.0668
Brugia malayi hypothetical protein 0.0129 0.2014 0.2415
Loa Loa (eye worm) hypothetical protein 0.0066 0.0937 0.1121
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0051 0.0691 0.0689
Brugia malayi Carboxylesterase family protein 0.0163 0.2583 0.3096
Brugia malayi orphan nuclear receptor NR2E1 0.0031 0.0349 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0066 0.0937 0.1123
Giardia lamblia Kinase, CMGC MAPK 0.0044 0.0575 0.0146
Loa Loa (eye worm) hypothetical protein 0.0163 0.2583 0.3095
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0726 0.1057
Brugia malayi nuclear hormone receptor 0.0031 0.0349 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0066 0.0937 0.1123
Brugia malayi CXXC zinc finger family protein 0.003 0.0337 0.0404
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0032 0.0368 0.0532
Schistosoma mansoni steroid hormone receptor ad4bp 0.0066 0.0937 0.0887
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0966 0.1158
Brugia malayi jmjC domain containing protein 0.0014 0.0055 0.0065
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0057 0.0797 0.0955
Plasmodium falciparum LCCL domain-containing protein 0.0051 0.0696 1
Onchocerca volvulus 0.0065 0.0921 0.155
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0349 0.0296
Loa Loa (eye worm) hypothetical protein 0.0066 0.0937 0.1121
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0966 0.0916
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Loa Loa (eye worm) hypothetical protein 0.0065 0.0921 0.1102
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0044 0.0575 0.6305
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0051 0.0691 0.0689
Echinococcus multilocularis inositol monophosphatase 1 0.0032 0.0368 0.0366
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0124 0.1929 0.2482
Loa Loa (eye worm) hypothetical protein 0.0065 0.0921 0.1102
Schistosoma mansoni inositol monophosphatase 0.0032 0.0368 0.0315
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0031 0.0349 0.0347
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.0354 0.0301
Schistosoma mansoni RAR-like nuclear receptor 0.0066 0.0937 0.0887
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0198 0.3191 0.3189
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0044 0.0575 0.7197
Brugia malayi conserved hypotetical protein 0.0031 0.0349 0.0418
Echinococcus granulosus transcription factor Dp 1 0.0033 0.0387 0.0385
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.2415 0.2374
Brugia malayi jmjC domain containing protein 0.0014 0.0055 0.0065
Loa Loa (eye worm) hypothetical protein 0.0051 0.0696 0.0832
Echinococcus granulosus lipoxygenase domain containing protein 0.0051 0.0696 0.0694
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0966 0.1156
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0066 0.0937 0.0887
Schistosoma mansoni hypothetical protein 0.0051 0.0696 0.0645
Echinococcus multilocularis carboxylesterase 5A 0.0163 0.2583 0.2581
Loa Loa (eye worm) nuclear hormone receptor 0.0031 0.0349 0.0416
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0117 0.1803 0.1801
Echinococcus granulosus JmjC domain containing protein 4 0.0014 0.0055 0.0053
Schistosoma mansoni cpg binding protein 0.003 0.0337 0.0284
Loa Loa (eye worm) hypothetical protein 0.0053 0.0715 0.0855
Brugia malayi small heat shock protein 0.0502 0.8341 1
Onchocerca volvulus 0.0053 0.0715 0.1004
Brugia malayi hypothetical protein 0.0035 0.0412 0.0494
Brugia malayi Nuclear hormone receptor E75 0.0031 0.0349 0.0418
Schistosoma mansoni nuclear hormone receptor 0.0066 0.0937 0.0887
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0966 0.0916
Loa Loa (eye worm) inositol-1 0.0032 0.0368 0.0439
Echinococcus multilocularis Polycystic kidney disease protein 0.0051 0.0696 0.0694
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0031 0.0349 0.0416
Echinococcus granulosus para nitrobenzyl esterase 0.0065 0.0921 0.0919
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.1977 0.2368
Echinococcus granulosus nuclear receptor nhr 48 0.0031 0.0349 0.0347
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0053 0.0726 0.9109
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.0084 0.0082
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0065 0.0921 0.0871
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0073 0.1062 0.106
Mycobacterium ulcerans carboxylesterase, LipT 0.0413 0.683 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0368 0.4587
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0065 0.0921 0.0919
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0641 0.0639
Brugia malayi Pre-SET motif family protein 0.0222 0.3588 0.4302
Schistosoma mansoni nuclear receptor 0.0031 0.0349 0.0296
Schistosoma mansoni retinoic acid receptor RXR 0.0151 0.2391 0.2349
Echinococcus granulosus lysine specific demethylase 5A 0.0053 0.072 0.0718
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0349 0.0347
Schistosoma mansoni jumonji domain containing protein 0.0051 0.0691 0.064
Brugia malayi Inositol-1 0.0032 0.0368 0.0441
Loa Loa (eye worm) carboxylesterase 0.0163 0.2583 0.3095
Loa Loa (eye worm) hypothetical protein 0.0066 0.0937 0.1121
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0057 0.0797 0.0795
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0066 0.0937 0.1121
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Loa Loa (eye worm) doublecortin family protein 0.0051 0.0696 0.0832
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0254 0.4134 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0066 0.0937 0.1123
Brugia malayi Carboxylesterase family protein 0.0065 0.0921 0.1104
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0066 0.0937 0.1123
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Loa Loa (eye worm) hypothetical protein 0.0065 0.0921 0.1102
Schistosoma mansoni jumonji/arid domain-containing protein 0.0053 0.072 0.0669
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0066 0.0937 0.0935
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0586 0.6435
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0063
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0641 0.0639
Loa Loa (eye worm) hypothetical protein 0.0129 0.2014 0.2413
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0254 0.4134 1
Echinococcus multilocularis dnaJ subfamily B 0.0431 0.7138 0.7137
Echinococcus multilocularis JmjC domain containing protein 4 0.0014 0.0055 0.0053
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0349 0.0347
Echinococcus multilocularis cpg binding protein 0.0032 0.0366 0.0364
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0057 0.0797 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.2415 0.2414
Loa Loa (eye worm) hypothetical protein 0.0066 0.0937 0.1121
Onchocerca volvulus 0.0065 0.0921 0.155
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0044 0.0575 0.7197
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0066 0.0937 0.0935
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0035 0.0412 0.041
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0065 0.0921 0.0871
Trypanosoma brucei protein kinase, putative 0.0044 0.0575 0.7197
Brugia malayi Steroid receptor seven-up type 2 0.0066 0.0937 0.1123
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0066 0.0937 0.1123
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0044 0.0575 0.7197
Brugia malayi jmjC domain containing protein 0.0051 0.0691 0.0828
Echinococcus granulosus inositol monophosphatase 1 0.0032 0.0368 0.0366
Brugia malayi hypothetical protein 0.0051 0.0696 0.0834
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0066 0.0937 0.0935
Schistosoma mansoni microtubule-associated protein tau 0.06 1 1
Onchocerca volvulus 0.0051 0.0696 0.0952
Onchocerca volvulus 0.0057 0.0796 0.1217
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Schistosoma mansoni zinc finger protein 0.0031 0.0349 0.0296
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0254 0.4134 1
Onchocerca volvulus 0.0051 0.0696 0.0952
Echinococcus multilocularis transcription factor Dp 1 0.0033 0.0387 0.0385
Echinococcus granulosus FTZ F1 alpha 0.0066 0.0937 0.0935
Onchocerca volvulus 0.0066 0.0937 0.1592
Schistosoma mansoni thyroid hormone receptor 0.0175 0.2794 0.2754
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0066 0.0937 0.1121
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0014 0.0055 0.063
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0349 0.0296
Brugia malayi nuclear receptor RXR 0.0031 0.0349 0.0418
Echinococcus granulosus mitogen activated protein kinase 0.0044 0.0575 0.0573
Treponema pallidum fructose-bisphosphate aldolase 0.0254 0.4134 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0065 0.0921 0.0919
Echinococcus multilocularis lysine specific demethylase 5A 0.0051 0.0691 0.0689
Brugia malayi jmjC domain containing protein 0.0053 0.072 0.0863
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0044 0.0575 0.7197
Brugia malayi Pre-SET motif family protein 0.0032 0.0373 0.0447
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0066 0.0937 0.0887
Brugia malayi Doublecortin family protein 0.0051 0.0696 0.0834
Brugia malayi Cytochrome P450 family protein 0.0011 0.0005 0.0006
Loa Loa (eye worm) cytochrome P450 family protein 0.0011 0.0005 0.0003
Brugia malayi Cytochrome P450 family protein 0.0011 0.0005 0.0006
Trichomonas vaginalis spcc417.12 protein, putative 0.0065 0.0921 0.1469
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0522 0.0445
Loa Loa (eye worm) steroid hormone receptor 0.0066 0.0937 0.1121
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0044 0.0575 0.7197
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0124 0.1929 0.2819
Brugia malayi tailless protein 0.0031 0.0349 0.0418
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Brugia malayi bZIP transcription factor family protein 0.0073 0.1062 0.1273
Loa Loa (eye worm) hypothetical protein 0.0035 0.0412 0.0491
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0726 0.0871
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0641 0.059
Brugia malayi Carboxylesterase family protein 0.0065 0.0921 0.1104
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.3588 0.43
Brugia malayi hypothetical protein 0.0065 0.0921 0.1104
Schistosoma mansoni nuclear receptor nhr-48 0.0031 0.0349 0.0296
Schistosoma mansoni loxhd1 0.0051 0.0696 0.0645
Onchocerca volvulus Bile acid receptor homolog 0.0066 0.0937 0.1592
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0163 0.2583 0.2542
Echinococcus granulosus BC026374 protein S09 family 0.0065 0.0921 0.0919
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0065 0.0921 0.0871
Schistosoma mansoni acetylcholinesterase 0.0065 0.0921 0.0871
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0044 0.0575 0.7197
Onchocerca volvulus 0.0065 0.0921 0.155
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Loa Loa (eye worm) carboxylesterase 0.0065 0.0921 0.1102
Brugia malayi ecdysone receptor 0.0031 0.0349 0.0418
Brugia malayi ecdysteroid receptor 0.0066 0.0937 0.1123
Loa Loa (eye worm) CYP4Cod1 0.0011 0.0005 0.0003
Loa Loa (eye worm) carboxylesterase 0.0065 0.0921 0.1102
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0109 0.168 0.1678
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0065 0.0921 0.1469
Schistosoma mansoni nuclear receptor 0.0031 0.0349 0.0296
Schistosoma mansoni cpg binding protein 0.0032 0.0366 0.0313
Loa Loa (eye worm) hypothetical protein 0.0066 0.0937 0.1121
Loa Loa (eye worm) hypothetical protein 0.0502 0.8341 1
Onchocerca volvulus 0.0065 0.0921 0.155
Echinococcus granulosus acetylcholinesterase 0.0163 0.2583 0.2581
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0066 0.0937 0.0935
Schistosoma mansoni thyroid hormone receptor 0.0175 0.2794 0.2754
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0053 0.0726 0.0637
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0066 0.0937 0.0887
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0337 0.0402
Brugia malayi hypothetical protein 0.0051 0.0696 0.0834
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0966 0.1156
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0373 0.032
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0586 0.0578
Schistosoma mansoni cpg binding protein 0.0032 0.0366 0.0313
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0586 0.8283
Brugia malayi steroid hormone receptor 0.0066 0.0937 0.1123
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0966 0.0916
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0641 0.0639
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0124 0.1929 1
Brugia malayi TAR-binding protein 0.0067 0.0966 0.1158
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0032 0.0368 0.0037
Schistosoma mansoni lipoxygenase 0.0198 0.3191 0.3153
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0575 0.0549
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0066 0.0937 0.1123
Onchocerca volvulus Protein ultraspiracle homolog 0.0066 0.0937 0.1592
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0066 0.0937 0.0935
Echinococcus granulosus ecdysone induced protein 78C 0.0066 0.0937 0.0935
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0066 0.0937 0.0887
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0368 0.4587
Loa Loa (eye worm) jmjC domain-containing protein 0.0014 0.0055 0.0063
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0044 0.0575 0.0687
Leishmania major hypothetical protein, conserved 0.0014 0.0055 0.063
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0066 0.0937 0.1123
Loa Loa (eye worm) hypothetical protein 0.0065 0.0921 0.1102
Loa Loa (eye worm) hypothetical protein 0.0051 0.0696 0.0832
Toxoplasma gondii aldehyde dehydrogenase 0.0053 0.0719 0.805
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0254 0.4134 1
Echinococcus granulosus neuroligin 0.0065 0.0921 0.0919
Echinococcus granulosus lysine specific demethylase 6a 0.0014 0.0055 0.0053
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.0349 0.0347
Echinococcus multilocularis neuroligin 0.0065 0.0921 0.0919
Loa Loa (eye worm) hypothetical protein 0.0071 0.1028 0.123
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.088 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0198 0.3191 0.3189
Echinococcus granulosus tumor protein p63 0.0359 0.5918 0.5917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0254 0.4134 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0035 0.0412 0.041
Schistosoma mansoni BC026374 protein (S09 family) 0.0065 0.0921 0.0871
Loa Loa (eye worm) hypothetical protein 0.0035 0.0412 0.0491
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0416
Echinococcus granulosus dnaJ subfamily B 0.0431 0.7138 0.7137
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0053 0.0726 0.0724
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0073 0.1062 0.106
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0065 0.0921 0.0936
Brugia malayi Nuclear hormone receptor-like 1 0.0066 0.0937 0.1123
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0151 0.2391 0.2389
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0057 0.0797 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.