Detailed information for compound 1306645

Basic information

Technical information
  • TDR Targets ID: 1306645
  • Name: N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzami de
  • MW: 338.316 | Formula: C14H18N4O6
  • H donors: 1 H acceptors: 5 LogP: 0.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])NCCCN1CCOCC1
  • InChi: 1S/C14H18N4O6/c19-14(15-4-1-5-16-6-8-24-9-7-16)12-3-2-11(17(20)21)10-13(12)18(22)23/h2-3,10H,1,4-9H2,(H,15,19)
  • InChiKey: SDZVYGFKAVRKEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-morpholinopropyl)-2,4-dinitro-benzamide
  • N-(3-morpholinopropyl)-2,4-dinitrobenzamide
  • N-(3-morpholin-4-ylpropyl)-2,4-dinitro-benzamide
  • BAS 00542446
  • N-(3-Morpholin-4-yl-propyl)-2,4-dinitro-benzamide
  • MLS000711555
  • SMR000281322

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0105 0.0222
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0642 0.136
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.115 0.2439
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Loa Loa (eye worm) hypothetical protein 0.0019 0.0148 0.0314
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Brugia malayi jmjC domain containing protein 0.0016 0.0105 0.0222
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.0105 0.0222
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.3547 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0036 0.0075
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.1085 0.2126
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0148 0.0314
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0036 0.0075
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0152 0.0323
Trypanosoma brucei hypothetical protein, conserved 0.0212 0.2557 0.5317
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0944 0.2002
Trypanosoma cruzi phosphomannose isomerase, putative 0.0384 0.4716 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0944 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0036 0.0075
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0036 0.0075
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.2499 0.53
Echinococcus granulosus phd:f box containing protein 0.0016 0.0105 0.0222
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0075
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.1686 0.329
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0384 0.4716 1
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.0176 0.2111 0.4296
Trichomonas vaginalis set domain proteins, putative 0.0236 0.2857 0.593
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0036 0.0075
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0105 0.0222
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0105 0.0222
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0148 0.0314
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0105 0.0222
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0105 0.0105
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.044 0.0639
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.1713 0.3633
Entamoeba histolytica phosphomannose isomerase, putative 0.0384 0.4716 1
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.0215 0.0145
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0148 0.0314
Schistosoma mansoni thyroid hormone receptor 0.001 0.0036 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0036 0.0075
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0036 0.0075
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0152 0.0323
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0152 0.0323
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0215 0.0031
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0036 0.0075
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0384 0.4716 1
Loa Loa (eye worm) voltage-dependent calcium channel 0.002 0.016 0.034
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0148 0.0148
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0148 0.0314
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0036 0.0075
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0061 0.0674 0.143
Schistosoma mansoni hypothetical protein 0.0031 0.0302 0.0641
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0201 0.0208
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0302 0.0302
Toxoplasma gondii hypothetical protein 0.0018 0.013 0.0054
Brugia malayi AIDA-1b 0.0007 0.000000015559 0.00000003299
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0148 0.0314
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0384 0.4716 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0201 0.0208
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0096 0.1106 0.1106
Echinococcus granulosus tar DNA binding protein 0.0063 0.0698 0.148
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0148 0.0314
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1085 0.2051
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0148 0.0314
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0302 0.0641
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0148 0.0148
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0148 0.0314
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0036 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0036 0.0075
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0036 0.0075
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0096 0.1106 0.2344
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0096 0.1106 0.2344
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0281 0.0382
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0215 0.0238
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0148 0.0314
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0036 0.0075
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0281 0.0596
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0384 0.4716 1
Brugia malayi RNA binding protein 0.0063 0.0698 0.148
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0036 0.0075
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0642 0.136
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0036 0.0036
Echinococcus granulosus GPCR family 2 0.0031 0.0302 0.0641
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0642 0.136
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0105 0.0222
Mycobacterium tuberculosis Conserved protein 0.0024 0.0215 0.006
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0201 0.0208
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0182 0.0385
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0148 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0036 0.0075
Brugia malayi hypothetical protein 0.0286 0.348 0.7379
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0075
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0075
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0075
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1085 0.2126
Loa Loa (eye worm) hypothetical protein 0.0016 0.0105 0.0222
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0698 0.148
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0302 0.0641
Echinococcus granulosus amyloid beta A4 protein 0.0068 0.0764 0.1621
Loa Loa (eye worm) hypothetical protein 0.0019 0.0148 0.0314
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0302 0.0641
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0642 0.136
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1085 0.2051
Brugia malayi nuclear receptor NHR-88 0.001 0.0036 0.0075
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0036 0.0124
Brugia malayi TAR-binding protein 0.0063 0.0698 0.148
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0148 0.0314
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0698 0.148
Brugia malayi hypothetical protein 0.0019 0.0148 0.0314
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0036 0.0036
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0148 0.0314
Echinococcus multilocularis amyloid beta A4 protein 0.0068 0.0764 0.0764
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.044 0.0727
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0665 0.1411
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0105 0.0105
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0302 0.0641
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.1085 0.2301
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0148 0.0314
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0148 0.0314
Loa Loa (eye worm) calcium channel 0.0096 0.1106 0.2344
Brugia malayi ecdysteroid receptor 0.001 0.0036 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0036 0.0075
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0638 0.1353
Loa Loa (eye worm) hypothetical protein 0.0286 0.348 0.7379
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0201 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0036 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0492 0.0752
Loa Loa (eye worm) RNA binding protein 0.0063 0.0698 0.148
Loa Loa (eye worm) hypothetical protein 0.0018 0.013 0.0276
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0384 0.4716 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0036 0.0036
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0036 0.0075
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0201 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0152 0.0323
Loa Loa (eye worm) hypothetical protein 0.018 0.2165 0.4591
Onchocerca volvulus 0.0058 0.0638 0.2233
Loa Loa (eye worm) acetyltransferase 0.0144 0.1713 0.3633
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0036 0.0075
Echinococcus granulosus FTZ F1 alpha 0.001 0.0036 0.0075
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0215 0.0238
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0642 0.0642
Trypanosoma cruzi phosphomannose isomerase, putative 0.0384 0.4716 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0201 0.0208
Toxoplasma gondii phosphomannose isomerase type I protein 0.0384 0.4716 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0281 0.0596
Schistosoma mansoni voltage-gated cation channel 0.0096 0.1106 0.2344
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0215 0.0215
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0944 0.2002
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0148 0.0148
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0642 0.0642
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0096 0.1106 0.1106
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0152 0.0323
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0058 0.0637 0.1154
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.044 0.0933
Trypanosoma brucei polo-like protein kinase 0.0094 0.1085 0.2126
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Loa Loa (eye worm) hypothetical protein 0.0096 0.1106 0.2344
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.348 0.348
Loa Loa (eye worm) hypothetical protein 0.0083 0.0944 0.2002
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0036 0.0075
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0698 0.148
Loa Loa (eye worm) hypothetical protein 0.0019 0.0148 0.0314
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0642 0.136
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0036 0.0075
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0036 0.0075
Brugia malayi hypothetical protein 0.0019 0.0148 0.0314
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0148 0.0314
Loa Loa (eye worm) hypothetical protein 0.0099 0.115 0.2439
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0396 0.0542
Echinococcus granulosus muscleblind protein 0.018 0.2165 0.4591
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0148 0.0148
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.044 0.0727
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.1713 0.1713
Brugia malayi jmjC domain containing protein 0.0016 0.0105 0.0222
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.348 0.7379
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0665 0.1029
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0758 0.1607
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0208 0.2515 1
Trypanosoma brucei phosphomannose isomerase 0.0384 0.4716 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0201 0.0208
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0148 0.0314
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0148 0.0314
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0698 0.148
Toxoplasma gondii transporter, cation channel family protein 0.002 0.016 0.012
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0384 0.4716 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1085 0.2051
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0036 0.0124
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.1085 0.2301
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0268 0.0567
Schistosoma mansoni hypothetical protein 0.0031 0.0302 0.0641
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0384 0.4716 1
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0148 0.0148
Echinococcus multilocularis expressed protein 0.0372 0.4554 0.4554
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0665 0.1029
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0105 0.0222
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0036 0.0075
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0036 0.0036
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.1686 0.6418
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0105 0.0222
Schistosoma mansoni hypothetical protein 0.0031 0.0302 0.0641
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.2557 0.5317
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0642 0.136
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0075
Brugia malayi jmjC domain containing protein 0.0059 0.0642 0.136
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0036 0.0075
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0281 0.0596
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0148 0.0314
Leishmania major hypothetical protein, conserved 0.0212 0.2557 0.5317
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0698 0.148
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0215 0.0455
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.1713 0.3633
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1085 0.2051
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.1686 0.6418
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.044 0.0639
Brugia malayi Pre-SET motif family protein 0.003 0.0281 0.0596
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0665 0.1215
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0665 0.1411
Mycobacterium ulcerans hypothetical protein 0.0024 0.0215 0.0031
Schistosoma mansoni kinase 0.0048 0.0507 0.1075
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0036 0.0075
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0105 0.0222
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0036 0.0036
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0105 0.0222
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0492 0.0752
Echinococcus granulosus voltage dependent calcium channel 0.0096 0.1106 0.2344
Brugia malayi jmjC domain containing protein 0.0016 0.0105 0.0222
Brugia malayi steroid hormone receptor 0.001 0.0036 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0036 0.0075
Loa Loa (eye worm) hypothetical protein 0.018 0.2165 0.4591
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1085 0.2126
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0148 0.0314
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0036 0.0075
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1085 0.2051
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0665 0.1215
Echinococcus multilocularis muscleblind protein 0.018 0.2165 0.2165
Loa Loa (eye worm) hypothetical protein 0.0019 0.0148 0.0314
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0105 0.0105
Schistosoma mansoni survival motor neuron protein 0.0058 0.0638 0.1353
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0036 0.0075
Onchocerca volvulus 0.0236 0.2857 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0096 0.1106 0.1106
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0036 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0698 0.148
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0036 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0036 0.0075
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0148 0.0314
Echinococcus multilocularis sodium channel protein 0.0041 0.0417 0.0417
Schistosoma mansoni coup transcription factor 0.001 0.0036 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0036 0.0075
Leishmania major phosphomannose isomerase 0.0384 0.4716 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0281 0.0281
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.1085 0.2051
Mycobacterium ulcerans hypothetical protein 0.0024 0.0215 0.0031
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.1663 0.3526
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0036 0.0075
Onchocerca volvulus 0.0083 0.0944 0.3305
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.2557 0.5317
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0384 0.4716 0.4716
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0698 0.148
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0396 0.0631
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0215 0.0031
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0036 0.0124
Onchocerca volvulus 0.0007 0.000000015559 0.000000054453
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0665 0.1411
Schistosoma mansoni mannose-6-phosphate isomerase 0.0384 0.4716 1
Entamoeba histolytica hypothetical protein 0.0023 0.0201 0.0115
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0215 0.006
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.0215 0.0031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0281 0.0596
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0096 0.1106 0.2344
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0302 0.0641
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0036 0.0036
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0215 0.0238
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0148 0.0148
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0036 0.0075
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.115 0.2439
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0148 0.0314
Loa Loa (eye worm) hypothetical protein 0.0066 0.0731 0.155
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.1085 0.2301
Brugia malayi Muscleblind-like protein 0.018 0.2165 0.4591
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0698 0.148
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0281 0.0281
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0148 0.0314
Echinococcus multilocularis voltage dependent calcium channel 0.0096 0.1106 0.1106
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0302 0.0302
Loa Loa (eye worm) X11 protein 0.0068 0.0764 0.1621
Plasmodium vivax SET domain protein, putative 0.003 0.0281 0.0382
Echinococcus granulosus expressed protein 0.0372 0.4554 0.9657
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0075
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0665 0.1029
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0201 0.0208
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0036 0.0036
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0152 0.0323
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0041 0.0417 0.0884
Echinococcus multilocularis voltage dependent calcium channel 0.0096 0.1106 0.1106
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0096 0.1106 0.2344
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0665 0.0665
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0036 0.0075
Echinococcus multilocularis GPCR, family 2 0.0031 0.0302 0.0302
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1085 0.2051
Loa Loa (eye worm) hypothetical protein 0.0068 0.0758 0.1607
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0036 0.0075
Brugia malayi hypothetical protein 0.0066 0.0731 0.155
Brugia malayi jmjC domain containing protein 0.0059 0.0642 0.136
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0148 0.0314
Brugia malayi Pre-SET motif family protein 0.0207 0.2499 0.53
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0105 0.0222
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.1085 0.3798
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0096 0.1106 0.2344
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0944 0.2002
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0036 0.0075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.115 0.2439
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0058 0.0637 0.1154
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.1085 0.2301
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.044 0.0727
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0105 0.0105
Schistosoma mansoni amyloid beta A4 protein related 0.0068 0.0764 0.1621
Onchocerca volvulus 0.001 0.0036 0.0124
Schistosoma mansoni nuclear hormone receptor 0.001 0.0036 0.0075
Loa Loa (eye worm) hypothetical protein 0.0016 0.0105 0.0222
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0152 0.0152
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0665 0.2007
Echinococcus granulosus voltage dependent calcium channel 0.002 0.016 0.034
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0036 0.0075
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0698 0.0698
Loa Loa (eye worm) AIDA-1b 0.0007 0.000000015559 0.00000003299
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0036 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1085 0.2051
Schistosoma mansoni hypothetical protein 0.0031 0.0302 0.0641
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0075
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0148 0.0314
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0384 0.4716 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0148 0.0314
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0036 0.0075
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0148 0.0148
Giardia lamblia Kinase, PLK 0.0094 0.1085 0.2188
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0075
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0036 0.0075
Schistosoma mansoni hypothetical protein 0.0058 0.0638 0.1353
Loa Loa (eye worm) hypothetical protein 0.0018 0.013 0.0276
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0096 0.1106 0.1106
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0105 0.0105
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0105 0.0222
Brugia malayi jmjC domain containing protein 0.0016 0.0105 0.0222
Brugia malayi PXA domain containing protein 0.0019 0.0148 0.0314
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0148 0.0314
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.1085 0.1085
Schistosoma mansoni hypothetical protein 0.0068 0.0758 0.1607
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0281 0.0596
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.3547 0.7439
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.0208 0.2515 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 0.3547 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0036 0.0075
Echinococcus multilocularis muscleblind protein 1 0.018 0.2165 0.2165
Loa Loa (eye worm) hypothetical protein 0.0031 0.0302 0.0641
Loa Loa (eye worm) hypothetical protein 0.0019 0.0148 0.0314
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0105 0.0222
Brugia malayi nuclear hormone receptor 0.001 0.0036 0.0075
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0281 0.0596
Onchocerca volvulus 0.003 0.0281 0.0984
Loa Loa (eye worm) hypothetical protein 0.0019 0.0148 0.0314
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.034
Echinococcus granulosus mannose 6 phosphate isomerase 0.0384 0.4716 1
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0152 0.0323
Brugia malayi PXA domain containing protein 0.0019 0.0148 0.0314
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0096 0.1106 0.2344

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 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) 100 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
Potency (functional) 100 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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