Detailed information for compound 1452736

Basic information

Technical information
  • TDR Targets ID: 1452736
  • Name: N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-(3-d imethylaminopropylamino)-3-oxoprop-1-en-2-yl] benzamide
  • MW: 496.396 | Formula: C25H26BrN3O3
  • H donors: 2 H acceptors: 2 LogP: 4.52 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCNC(=O)/C(=C\c1ccc(o1)c1ccc(cc1)Br)/NC(=O)c1ccccc1)C
  • InChi: 1S/C25H26BrN3O3/c1-29(2)16-6-15-27-25(31)22(28-24(30)19-7-4-3-5-8-19)17-21-13-14-23(32-21)18-9-11-20(26)12-10-18/h3-5,7-14,17H,6,15-16H2,1-2H3,(H,27,31)(H,28,30)/b22-17+
  • InChiKey: CELHVNGSELGNMX-OQKWZONESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-[5-(4-bromophenyl)furan-2-yl]-3-(3-dimethylaminopropylamino)-3-oxoprop-1-en-2-yl]benzamide
  • N-[(E)-2-[5-(4-bromophenyl)-2-furyl]-1-(3-dimethylaminopropylcarbamoyl)vinyl]benzamide
  • N-[2-[5-(4-bromophenyl)-2-furyl]-1-(3-dimethylaminopropylcarbamoyl)vinyl]benzamide
  • N-[(E)-2-[5-(4-bromophenyl)-2-furyl]-1-[(3-dimethylaminopropylamino)-oxomethyl]vinyl]benzamide
  • N-[2-[5-(4-bromophenyl)-2-furyl]-1-[(3-dimethylaminopropylamino)-oxomethyl]vinyl]benzamide
  • N-[1-[5-(4-bromophenyl)furan-2-yl]-3-(3-dimethylaminopropylamino)-3-oxo-prop-1-en-2-yl]benzamide
  • N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-(3-dimethylaminopropylamino)-3-oxo-prop-1-en-2-yl]benzamide
  • CBDivE_010753
  • MLS000701097
  • N-[2-[5-(4-bromophenyl)-2-furyl]-1-({[3-(dimethylamino)propyl]amino}carbonyl)vinyl]benzamide
  • SMR000225046

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microphthalmia-associated transcription factor Starlite/ChEMBL No references
Homo sapiens RAD52 homolog (S. cerevisiae) Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Giardia lamblia DNA repair protein RAD52 Get druggable targets OG5_130806 All targets in OG5_130806
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein Get druggable targets OG5_133408 All targets in OG5_133408
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica DNA repair and recombination protein RAD52, putative Get druggable targets OG5_130806 All targets in OG5_130806
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Helix-loop-helix DNA-binding domain containing protein Get druggable targets OG5_133408 All targets in OG5_133408
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133408 All targets in OG5_133408
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus transcription factor eb Get druggable targets OG5_133408 All targets in OG5_133408
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis transcription factor eb Get druggable targets OG5_133408 All targets in OG5_133408
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) transcription factor SMAD2 0.0261 0.5223 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0118 0.0118
Brugia malayi nuclear hormone receptor 0.0012 0.0118 0.0226
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0118 0.0118
Leishmania major hypothetical protein, conserved 0.0043 0.076 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.076 0.1454
Brugia malayi mothers against decapentaplegic homolog 3 0.0008 0.0031 0.0059
Brugia malayi Smad1 0.0018 0.0233 0.0445
Schistosoma mansoni smad1 5 8 and 0.0018 0.0233 0.0233
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0118 0.0226
Brugia malayi beta-lactamase family protein 0.0043 0.076 0.1454
Echinococcus granulosus GPCR family 2 0.0019 0.0258 0.0258
Echinococcus multilocularis GPCR, family 2 0.0019 0.0258 0.0258
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0259 0.0259
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0118 0.0118
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0043 0.076 0.1454
Onchocerca volvulus 0.0043 0.076 1
Schistosoma mansoni smad 0.0008 0.0031 0.0031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1001 0.1001
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0118 0.0118
Schistosoma mansoni hypothetical protein 0.0041 0.0712 0.0712
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.076 0.1454
Loa Loa (eye worm) hypothetical protein 0.0012 0.0118 0.0226
Schistosoma mansoni hypothetical protein 0.0019 0.0258 0.0258
Schistosoma mansoni Smad4 0.0008 0.0031 0.0031
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0118 0.0118
Plasmodium vivax hypothetical protein, conserved 0.0043 0.076 1
Onchocerca volvulus 0.0043 0.076 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0233 0.0233
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1377 0.1377
Loa Loa (eye worm) hypothetical protein 0.0012 0.0118 0.0226
Brugia malayi MH1 domain containing protein 0.001 0.007 0.0133
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0118 0.0226
Loa Loa (eye worm) hypothetical protein 0.0043 0.076 0.1454
Loa Loa (eye worm) hypothetical protein 0.0012 0.0118 0.0226
Mycobacterium leprae conserved hypothetical protein 0.0043 0.076 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.076 0.0943
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0019 0.0258 0.0258
Mycobacterium ulcerans hypothetical protein 0.0043 0.076 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1216 1
Trichomonas vaginalis esterase, putative 0.0043 0.076 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0258 0.0258
Brugia malayi beta-lactamase 0.0043 0.076 0.1454
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0233 0.0445
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0259 0.0259
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0259 0.0259
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.076 0.0943
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0118 0.0226
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.076 0.1454
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0712 0.1363
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.076 0.076
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.076 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0118 0.0226
Loa Loa (eye worm) hypothetical protein 0.0012 0.0118 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0118 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0118 0.0226
Loa Loa (eye worm) hypothetical protein 0.013 0.2529 0.4841
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0118 0.0118
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5566 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.076 0.1454
Loa Loa (eye worm) hypothetical protein 0.0012 0.0118 0.0226
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0044 0.0044
Echinococcus multilocularis smad 0.0018 0.0233 0.0233
Brugia malayi MH1 domain containing protein 0.001 0.007 0.0133
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0118 0.0226
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.076 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0088 0.0088
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.076 0.076
Schistosoma mansoni Smad4 0.0008 0.0031 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0118 0.0226
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0118 0.0226
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0031 0.0059
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1001 0.1001
Mycobacterium ulcerans lipase LipD 0.0043 0.076 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0258 0.0495
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0118 0.0118
Schistosoma mansoni cpg binding protein 0.0037 0.062 0.062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0118 0.0226
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0118 0.0118
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0044 0.0044
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.076 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0258 0.0258
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0012 0.0118 0.0226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1001 0.1001
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0118 0.0118
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1103 0.2111
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.076 0.0943
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0043 0.076 0.1454
Schistosoma mansoni cpg binding protein 0.0037 0.062 0.062
Brugia malayi CXXC zinc finger family protein 0.0035 0.0579 0.1109
Brugia malayi steroid hormone receptor 0.0012 0.0118 0.0226
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0233 0.0233
Onchocerca volvulus 0.0035 0.0579 0.7524
Schistosoma mansoni coup transcription factor 0.0012 0.0118 0.0118
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0118 0.0226
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0088 0.0168
Loa Loa (eye worm) nuclear factor I 0.001 0.007 0.0133
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.076 0.076
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0118 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0118 0.0226
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0118 0.0118
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1103 0.2111
Echinococcus multilocularis transcription factor eb 0.013 0.2542 0.2542
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0118 0.0118
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.042 0.848 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.076 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0118 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0118 0.0226
Echinococcus granulosus Smad4 0.0018 0.0233 0.0233
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.076 1
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0259 0.0496
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0043 0.076 0.1454
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0259 0.0259
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0118 0.0118
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0118 0.0226
Brugia malayi ecdysteroid receptor 0.0012 0.0118 0.0226
Loa Loa (eye worm) hypothetical protein 0.0019 0.0258 0.0495
Loa Loa (eye worm) hypothetical protein 0.0012 0.0118 0.0226
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1001 0.1001
Mycobacterium tuberculosis Conserved protein 0.0043 0.076 0.0943
Schistosoma mansoni hypothetical protein 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0118 0.0226
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0118 0.0118
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0044 0.0044
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.076 1
Giardia lamblia DNA repair protein RAD52 0.042 0.848 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0259 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0118 0.0118
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0233 0.0233
Brugia malayi MH2 domain containing protein 0.0261 0.5223 1
Onchocerca volvulus 0.0043 0.076 1
Schistosoma mansoni cpg binding protein 0.0035 0.0579 0.0579
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0118 0.0118
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0258 0.0258
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0259 0.0259
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0031 0.0059
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.076 0.0943
Schistosoma mansoni smad1 5 8 and 0.0018 0.0233 0.0233
Echinococcus granulosus mothers against decapentaplegic 6 0.0008 0.0031 0.0031
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0233 0.0445
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0118 0.0118
Brugia malayi MH1 domain containing protein 0.0018 0.0233 0.0445
Brugia malayi MH1 domain containing protein 0.0018 0.0233 0.0445
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.076 0.076
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0118 0.0118
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0118 0.1197
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0118 0.0118
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0233 0.0233
Brugia malayi MH2 domain containing protein 0.0018 0.0233 0.0445
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0258 0.0495
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.076 1
Echinococcus multilocularis mothers against decapentaplegic 6 0.0008 0.0031 0.0031
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0118 0.0118
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.076 0.0943
Schistosoma mansoni smad 0.0018 0.0233 0.0233
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0118 0.0226
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0258 0.0495
Loa Loa (eye worm) hypothetical protein 0.0008 0.0031 0.0059
Loa Loa (eye worm) hypothetical protein 0.001 0.007 0.0133
Mycobacterium tuberculosis Conserved protein 0.0043 0.076 0.0943
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0118 0.0226
Toxoplasma gondii ABC1 family protein 0.0043 0.076 0.5233
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0118 0.0226
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1001 0.1916
Echinococcus multilocularis cpg binding protein 0.0037 0.062 0.062
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1103 0.2111
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0118 0.0118
Echinococcus multilocularis mothers against decapentaplegic 2 0.0008 0.0031 0.0031
Loa Loa (eye worm) beta-lactamase 0.0043 0.076 0.1454
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0118 0.0226
Echinococcus granulosus cpg binding protein 0.0037 0.062 0.062
Loa Loa (eye worm) hypothetical protein 0.0041 0.0712 0.1363
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0259 0.0259
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1001 0.1001
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1001 0.1916
Mycobacterium leprae Probable lipase LipE 0.0043 0.076 0.5
Schistosoma mansoni Smad4 0.0018 0.0233 0.0233
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.076 0.0943
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0118 0.0226
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.076 1
Brugia malayi beta-lactamase family protein 0.0043 0.076 0.1454
Echinococcus multilocularis Smad4 0.0018 0.0233 0.0233
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0118 0.0226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0118 0.0226
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0088 0.0088
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.013 0.2529 0.4841
Onchocerca volvulus 0.0012 0.0118 0.1197
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0233 0.0233
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1001 0.1001
Loa Loa (eye worm) MH2 domain-containing protein 0.0261 0.5223 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0008 0.0031 0.0031
Brugia malayi isocitrate dehydrogenase 0.0019 0.0259 0.0496
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0118 0.0118
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.076 0.0943
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0085 0.0163
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.076 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0259 0.0259
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0118 0.0118
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.013 0.2542 0.4866
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0118 0.0118
Brugia malayi MH2 domain containing protein 0.0018 0.0233 0.0445
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0118 0.1197
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.076 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0118 0.0118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1001 0.1001
Loa Loa (eye worm) hypothetical protein 0.006 0.1103 0.2111
Brugia malayi MH2 domain containing protein 0.0008 0.0031 0.0059
Echinococcus granulosus smad 0.0018 0.0233 0.0233
Mycobacterium tuberculosis Conserved protein 0.0043 0.076 0.0943
Echinococcus granulosus transcription factor eb 0.013 0.2542 0.2542
Schistosoma mansoni smad1 5 8 and 0.0018 0.0233 0.0233
Loa Loa (eye worm) Smad1 0.0018 0.0233 0.0445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0118 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0118 0.0226
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0118 0.1197
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0579 0.1109
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0259 0.0496
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0258 0.0258
Schistosoma mansoni hypothetical protein 0.0019 0.0258 0.0258
Mycobacterium ulcerans beta-lactamase 0.0043 0.076 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0258 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0118 0.0226
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0118 0.0118

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 7.513 uM PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 7.513 uM PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 7.513 uM PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 15.56 uM PubChem BioAssay. FRET-based HTS for detection of RAD52 Inhibitors Measured in Biochemical System Using Plate Reader - 7018-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AC50 (functional) = 16.299 uM PUBCHEM_BIOASSAY: MITF Orthogonal Assay: MALME3 CTG Assay Measured in Cell-Based System Using Plate Reader - 2084-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 16.677 uM PUBCHEM_BIOASSAY: MITF Orthogonal Assay: SK-MEL-5 CTG Assay Measured in Cell-Based System Using Plate Reader - 2084-02_Inhibitor_Dose_CherryPick_Activity_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
IC50 (functional) > 32 uM PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High content imaging assay of the inhibition of receptor-mediated beta-arrestin GFP translocation to cytosolic compartments Secondary Screen (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2079, AID2397, AID2480, AID463201, AID463202, AID463217, AID463227, AID463228, AID488987] ChEMBL. No reference
Potency (functional) = 3.1623 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
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.