Detailed information for compound 1289676

Basic information

Technical information
  • TDR Targets ID: 1289676
  • Name: 2-(4-chlorophenyl)sulfanyl-N-pyrimidin-2-ylac etamide
  • MW: 279.745 | Formula: C12H10ClN3OS
  • H donors: 1 H acceptors: 3 LogP: 2.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ncccn1)CSc1ccc(cc1)Cl
  • InChi: 1S/C12H10ClN3OS/c13-9-2-4-10(5-3-9)18-8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)
  • InChiKey: DCCYIUBRKYZNGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenyl)sulfanyl-N-pyrimidin-2-yl-acetamide
  • 2-[(4-chlorophenyl)thio]-N-(2-pyrimidinyl)acetamide
  • 2-[(4-chlorophenyl)thio]-N-pyrimidin-2-yl-acetamide
  • 2-(4-chlorophenyl)sulfanyl-N-pyrimidin-2-yl-ethanamide
  • SMR000253539
  • T5319133
  • MLS000335785

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
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 Bromodomain containing protein 0.0046 0.0462 0.1053
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0551 0.1259
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0006 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0291 0.4758
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0551 0.0548
Brugia malayi hypothetical protein 0.0189 0.3108 0.714
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0109 0.0166
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0006 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0551 0.0864
Leishmania major hypothetical protein, conserved 0.0054 0.0607 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0435 0.7149
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0551 0.0548
Loa Loa (eye worm) hypothetical protein 0.0061 0.0729 0.1674
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0006 0.0005
Loa Loa (eye worm) hypothetical protein 0.0037 0.0291 0.0668
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0291 0.0697
Brugia malayi Pre-SET motif family protein 0.0214 0.3571 0.8206
Loa Loa (eye worm) hypothetical protein 0.0053 0.0592 0.136
Loa Loa (eye worm) hypothetical protein 0.0022 0.0004 0.0009
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0004 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0006 0.0015
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0006 0.0005
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0109 0.0105
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0291 0.072
Loa Loa (eye worm) hypothetical protein 0.0049 0.0516 0.1187
Schistosoma mansoni hypothetical protein 0.0034 0.0232 0.0359
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0061 0.0729 0.1667
Brugia malayi mbt repeat family protein 0.0053 0.0592 0.1352
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0592 0.1424
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0006 0.0005
Mycobacterium tuberculosis Conserved protein 0.0037 0.0291 0.072
Echinococcus granulosus geminin 0.0363 0.6342 0.634
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0006 0.0005
Trichomonas vaginalis esterase, putative 0.0037 0.0291 0.0697
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0006 0.0005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.1587 0.364
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0006 0.0002
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0291 0.6656
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0006 0.0002
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0291 0.0287
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0006 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0006 0.0005
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0006 0.0002
Echinococcus granulosus GPCR family 2 0.0034 0.0232 0.0228
Brugia malayi Inositol-1 0.0045 0.0435 0.0991
Echinococcus multilocularis histone acetyltransferase MYST2 0.0061 0.0729 0.0725
Schistosoma mansoni hypothetical protein 0.0073 0.0959 0.1508
Brugia malayi hypothetical protein 0.0054 0.0607 0.1386
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0291 0.4758
Schistosoma mansoni zinc finger protein 0.0024 0.0043 0.0061
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0006 0.0002
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0291 0.2707
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0006 0.0005
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0006 0.0004
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0592 0.0588
Schistosoma mansoni hypothetical protein 0.0034 0.0232 0.0359
Brugia malayi PHD-finger family protein 0.003 0.0162 0.0364
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0006 0.0015
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0232 0.0532
Loa Loa (eye worm) hypothetical protein 0.0107 0.1587 0.3646
Brugia malayi beta-lactamase family protein 0.0037 0.0291 0.066
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0435 0.0431
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.029 0.0286
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0592 0.136
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0006 0.0004
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0006 0.0015
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.1587 0.364
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0551 0.0864
Echinococcus granulosus histone acetyltransferase MYST2 0.0061 0.0729 0.0725
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0174 0.0267
Loa Loa (eye worm) hypothetical protein 0.0051 0.0555 0.1276
Schistosoma mansoni hypothetical protein 0.0024 0.0054 0.0079
Mycobacterium tuberculosis Conserved protein 0.0037 0.0291 0.072
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0054 0.005
Loa Loa (eye worm) MH2 domain-containing protein 0.0256 0.4351 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0555 0.087
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0607 0.5
Brugia malayi nuclear hormone receptor 0.0022 0.0006 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0006 0.0015
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0592 0.0928
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0348 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0232 0.0228
Loa Loa (eye worm) hypothetical protein 0.0052 0.0559 0.1285
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0153 0.0149
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0409 0.0405
Echinococcus multilocularis zinc finger protein 0.0024 0.0043 0.0039
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0015
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0348 0.0863
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0959 0.2198
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0435 0.7149
Schistosoma mansoni hypothetical protein 0.0037 0.029 0.0452
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0551 0.0548
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0435 0.1047
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0291 0.4758
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0006 0.0004
Echinococcus granulosus endonuclease exonuclease phosphatase 0.021 0.3495 0.3493
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0006 0.0004
Onchocerca volvulus 0.0037 0.0291 0.0691
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0291 0.0697
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0592 0.0588
Brugia malayi hypothetical protein 0.0035 0.0252 0.0569
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0006 0.0005
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0015
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0291 0.072
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0006 0.0005
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0006 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0006 0.0005
Loa Loa (eye worm) transcription factor SMAD2 0.0256 0.4351 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0006 0.0004
Loa Loa (eye worm) MBCTL1 0.0061 0.0729 0.1674
Loa Loa (eye worm) hypothetical protein 0.0037 0.0291 0.0668
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0607 1
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0291 0.072
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0435 0.1047
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0061 0.0729 0.0725
Loa Loa (eye worm) hypothetical protein 0.0189 0.3108 0.7143
Onchocerca volvulus 0.0053 0.0592 0.1424
Onchocerca volvulus 0.0031 0.0174 0.0406
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0015
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0232 0.0228
Schistosoma mansoni inositol monophosphatase 0.0045 0.0435 0.068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0006 0.0015
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0555 0.087
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0291 0.0697
Brugia malayi steroid hormone receptor 0.0022 0.0006 0.0005
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0435 0.5
Brugia malayi MH2 domain containing protein 0.0256 0.4351 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0006 0.0004
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0941 0.0937
Onchocerca volvulus 0.0037 0.0291 0.0691
Entamoeba histolytica hypothetical protein 0.0037 0.029 0.6644
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0006 0.0005
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.029 0.0452
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0592 0.0928
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0232 0.0524
Schistosoma mansoni eyes absent homolog 0.0189 0.3108 0.4898
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0551 0.0864
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0006 0.0004
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0054 0.005
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0006 0.0002
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0015
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0006 0.0002
Trichomonas vaginalis set domain proteins, putative 0.0244 0.4119 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0291 0.6656
Echinococcus granulosus zinc finger protein 0.0024 0.0043 0.0039
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0232 0.0524
Brugia malayi beta-lactamase 0.0037 0.0291 0.066
Loa Loa (eye worm) hypothetical protein 0.0054 0.0607 0.1394
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0006 0.0005
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0015
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0006 0.0004
Brugia malayi hypothetical protein 0.0037 0.029 0.0658
Schistosoma mansoni hypothetical protein 0.0034 0.0232 0.0359
Schistosoma mansoni hypothetical protein 0.0324 0.5607 0.884
Brugia malayi Pre-SET motif family protein 0.0031 0.0174 0.039
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0006 0.0005
Brugia malayi ecdysteroid receptor 0.0022 0.0006 0.0005
Onchocerca volvulus 0.0037 0.0291 0.0691
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0941 0.0937
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0435 0.7149
Brugia malayi nuclear receptor NHR-88 0.0022 0.0006 0.0005
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0109 0.0105
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0291 0.0452
Schistosoma mansoni hypothetical protein 0.0363 0.6342 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0291 0.0668
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0435 0.7149
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0006 0.0002
Mycobacterium ulcerans lipase LipD 0.0037 0.0291 0.6656
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0174 0.0267
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0435 0.0431
Entamoeba histolytica hypothetical protein 0.0037 0.029 0.6644
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0592 0.0588
Mycobacterium ulcerans beta-lactamase 0.0037 0.0291 0.6656
Brugia malayi mbt repeat family protein 0.0053 0.0592 0.1352
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0435 0.1047
Onchocerca volvulus 0.0244 0.4119 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.021 0.3495 0.3493
Loa Loa (eye worm) hypothetical protein 0.0085 0.1188 0.2729
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.3571 0.8208
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0006 0.0005
Schistosoma mansoni coup transcription factor 0.0022 0.0006 0.0004
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0006 0.0002
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0006 0.0004
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0291 0.0287
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0409 0.0405
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0006 0.0004
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0291 0.072
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0006 0.0004
Mycobacterium tuberculosis Conserved protein 0.0037 0.0291 0.072
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0006 0.0015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.1587 0.3646
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0174 0.017
Schistosoma mansoni hypothetical protein 0.0363 0.6342 1
Toxoplasma gondii ABC1 family protein 0.0037 0.0291 0.2707
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0435 0.6033
Loa Loa (eye worm) beta-lactamase 0.0037 0.0291 0.0668
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0061 0.0729 0.0725
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0006 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0006 0.0015
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.029 0.0286
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0066 0.0153
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0551 0.1267
Loa Loa (eye worm) hypothetical protein 0.0034 0.0232 0.0532
Echinococcus multilocularis geminin 0.0363 0.6342 0.634
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0006 0.0002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0551 0.0548
Schistosoma mansoni hypothetical protein 0.0034 0.0232 0.0359
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0607 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.0555 0.0551
Leishmania major hypothetical protein, conserved 0.0037 0.0291 0.4758
Schistosoma mansoni myelin transcription factor 1 myt1 0.0061 0.0729 0.1143
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0006 0.0002
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.3989 1
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0291 0.072
Brugia malayi beta-lactamase family protein 0.0037 0.0291 0.066
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0592 0.0928
Brugia malayi Bromodomain containing protein 0.0091 0.1283 0.2943
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0291 0.0697
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0291 0.0668
Loa Loa (eye worm) hypothetical protein 0.0037 0.0291 0.0668
Schistosoma mansoni inositol monophosphatase 0.0045 0.0435 0.068
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0607 1
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0607 1
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0006 0.0005
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0006 0.0002
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0291 0.072
Loa Loa (eye worm) inositol-1 0.0045 0.0435 0.0999
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0006 0.0005
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0006 0.0002
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0006 0.0002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0006 0.0002
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0435 1
Giardia lamblia DINP protein human, muc B family 0.0022 0.0004 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0232 0.0228
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0607 1
Schistosoma mansoni hypothetical protein 0.0025 0.0066 0.0098
Entamoeba histolytica hypothetical protein 0.0037 0.029 0.6644
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0291 0.066
Entamoeba histolytica hypothetical protein 0.0037 0.029 0.6644
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0232 0.0228
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0291 0.0452
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0015
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0291 0.0697
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0006 0.0002
Loa Loa (eye worm) hypothetical protein 0.0046 0.0463 0.1065
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0291 0.072
Loa Loa (eye worm) hypothetical protein 0.0037 0.0291 0.0668
Loa Loa (eye worm) hypothetical protein 0.0189 0.3108 0.7143
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0015
Schistosoma mansoni bromodomain containing protein 0.0076 0.1021 0.1605
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0015
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0592 0.0588
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0607 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.0291 0.6656
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.0555 0.0551
Echinococcus multilocularis GPCR, family 2 0.0034 0.0232 0.0228
Loa Loa (eye worm) hypothetical protein 0.0037 0.0291 0.0668
Loa Loa (eye worm) hypothetical protein 0.0073 0.0959 0.2205

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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.

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