Detailed information for compound 1286806

Basic information

Technical information
  • TDR Targets ID: 1286806
  • Name: 5-dimethylamino-2-(2-nitrophenyl)-1,3-oxazole -4-carbonitrile
  • MW: 258.233 | Formula: C12H10N4O3
  • H donors: 0 H acceptors: 4 LogP: 2.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1nc(oc1N(C)C)c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C12H10N4O3/c1-15(2)12-9(7-13)14-11(19-12)8-5-3-4-6-10(8)16(17)18/h3-6H,1-2H3
  • InChiKey: YUAQULQYKXKMIA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-dimethylamino-2-(2-nitrophenyl)oxazole-4-carbonitrile
  • 5-dimethylamino-2-(2-nitrophenyl)-4-oxazolecarbonitrile
  • 5-Dimethylamino-2-(2-nitro-phenyl)-oxazole-4-carbonitrile
  • MLS000762786
  • SMR000440047
  • STOCK4S-51823
  • ZINC00539207

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0035 0.046 0.0474
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.2427 0.3434
Mycobacterium ulcerans hypothetical protein 0.0039 0.0565 0.1115
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0102 0.0058
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0102 0.0167
Mycobacterium tuberculosis Conserved protein 0.0039 0.0565 0.0744
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0102 0.0117
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.2417 0.342
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0749 0.105
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0565 0.0744
Brugia malayi jmjC domain containing protein 0.0115 0.2865 0.407
Giardia lamblia DINP protein human, muc B family 0.0023 0.0102 0.0041
Loa Loa (eye worm) hypothetical protein 0.0056 0.1082 0.1532
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.1305 0.2132
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0102 0.0058
Loa Loa (eye worm) hypothetical protein 0.0049 0.0877 0.1236
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0565 0.1115
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0662 0.1081
Mycobacterium ulcerans hypothetical protein 0.003 0.0291 0.0508
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0565 0.0507
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0102 0.006
Trichomonas vaginalis esterase, putative 0.0039 0.0565 0.0507
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1604 0.3415
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.025 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.025 0.0279
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0291 0.0325
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0565 0.0923
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0224 0.6122 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.2427 0.3472
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4579 0.6673
Leishmania major hypothetical protein, conserved 0.0257 0.7116 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.025 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1585 0.2257
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0565 0.0785
Loa Loa (eye worm) hypothetical protein 0.0039 0.0565 0.0785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.2427 0.3964
Onchocerca volvulus 0.0036 0.0485 0.0034
Echinococcus granulosus geminin 0.0205 0.5547 0.906
Loa Loa (eye worm) hypothetical protein 0.0083 0.1881 0.2684
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0877 0.1236
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.1494 0.2441
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0565 0.0744
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3467 0.3575
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0291 0.0508
Loa Loa (eye worm) hypothetical protein 0.0048 0.083 0.1167
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0102 0.0058
Brugia malayi beta-lactamase family protein 0.0039 0.0565 0.0732
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2153 0.2221
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.025 0.019
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.1074 0.1108
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0102 0.0167
Echinococcus granulosus zinc finger protein 0.0023 0.0088 0.0144
Echinococcus multilocularis dna polymerase eta 0.0023 0.0102 0.0167
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Plasmodium vivax SET domain protein, putative 0.0036 0.0485 0.8403
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0291 0.0508
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0291 0.0508
Loa Loa (eye worm) RNA binding protein 0.0135 0.3467 0.4974
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0877 0.1185
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.025 0.1224
Loa Loa (eye worm) beta-lactamase 0.0039 0.0565 0.0785
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0877 0.1185
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0192 0.0198
Loa Loa (eye worm) hypothetical protein 0.0039 0.0565 0.0785
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0102 0.0059
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0682 0.1114
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0056 0.1082 0.1116
Loa Loa (eye worm) hypothetical protein 0.0063 0.1305 0.1853
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0565 0.0507
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0485 0.2745
Schistosoma mansoni bromodomain containing protein 0.0074 0.162 0.1671
Loa Loa (eye worm) hypothetical protein 0.01 0.2417 0.3458
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1604 0.2187
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.2427 0.3964
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.1305 0.1346
Loa Loa (eye worm) hypothetical protein 0.005 0.0897 0.1264
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0102 0.0041
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0061 0.0058
Loa Loa (eye worm) hypothetical protein 0.0023 0.0102 0.0117
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.2427 0.3964
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.6832 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0565 0.0583
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0565 0.0744
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6949 1
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.1074 0.1108
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0291 0.0475
Plasmodium falciparum phd finger protein, putative 0.0035 0.046 1
Schistosoma mansoni hypothetical protein 0.0034 0.0411 0.0424
Mycobacterium leprae Probable lipase LipE 0.0039 0.0565 0.0728
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3467 0.3575
Leishmania major DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0061 0.01
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0102 0.009
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0565 0.0923
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.025 0.1224
Brugia malayi jmjC domain containing protein 0.0045 0.0749 0.0998
Mycobacterium tuberculosis Conserved protein 0.0039 0.0565 0.0744
Brugia malayi MH2 domain containing protein 0.0139 0.3586 0.5117
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0565 0.0507
Echinococcus multilocularis geminin 0.0205 0.5547 0.906
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0291 0.0325
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.1494 0.2441
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2865 0.4679
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7991 0.7979
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0125 0.015
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1604 0.3415
Echinococcus multilocularis SAM and MBT domain containing protein 0.0056 0.1074 0.1754
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.025 0.0418
Brugia malayi PHD-finger family protein 0.0029 0.0275 0.0311
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0565 0.0728
Giardia lamblia PHD finger protein 15 0.0035 0.046 0.0401
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1604 0.2279
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.2427 0.3964
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4579 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Loa Loa (eye worm) hypothetical protein 0.006 0.1215 0.1723
Loa Loa (eye worm) hypothetical protein 0.0039 0.0565 0.0785
Loa Loa (eye worm) TAR-binding protein 0.0135 0.3467 0.4974
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0749 0.0772
Onchocerca volvulus 0.0039 0.0565 0.014
Mycobacterium ulcerans hypothetical protein 0.003 0.0291 0.0508
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.3586 0.5145
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.025 0.0268
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Onchocerca volvulus 0.0039 0.0565 0.014
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.046 0.0751
Loa Loa (eye worm) hypothetical protein 0.0045 0.0747 0.1047
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0565 0.0583
Leishmania major DNA polymerase eta, putative 0.0023 0.0102 0.0058
Onchocerca volvulus 0.0039 0.0565 0.014
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0291 0.0231
Schistosoma mansoni hypothetical protein 0.0343 0.9696 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0102 0.0058
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4579 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.0102 0.0105
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0102 0.0041
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0102 0.0105
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0445 0.0727
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 0.3467 0.4974
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.046 0.0474
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0662 0.1081
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.046 0.0751
Brugia malayi TAR-binding protein 0.0135 0.3467 0.4944
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0102 0.009
Brugia malayi Bromodomain containing protein 0.0045 0.0744 0.0992
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0485 0.05
Loa Loa (eye worm) hypothetical protein 0.0039 0.0565 0.0785
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.1305 0.2132
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1604 0.1654
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0102 0.006
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0192 0.0314
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0749 0.0772
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0565 0.0744
Brugia malayi RNA recognition motif domain containing protein 0.0135 0.3467 0.4944
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2865 0.4679
Echinococcus granulosus histone lysine methyltransferase setb 0.0056 0.1082 0.1768
Onchocerca volvulus 0.0056 0.1074 0.0816
Schistosoma mansoni ap endonuclease 0.0022 0.0061 0.0063
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1604 0.262
Loa Loa (eye worm) mbt repeat family protein 0.0056 0.1074 0.1519
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0565 0.0507
Loa Loa (eye worm) hypothetical protein 0.0039 0.0565 0.0785
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0565 0.0744
Echinococcus granulosus tar DNA binding protein 0.0135 0.3467 0.5663
Loa Loa (eye worm) hypothetical protein 0.0034 0.0411 0.0562
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.046 0.2581
Echinococcus multilocularis peregrin 0.0038 0.0542 0.0886
Plasmodium vivax hypothetical protein, conserved 0.0035 0.046 0.7901
Echinococcus multilocularis polycomb protein SCMH1 0.0056 0.1074 0.1754
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0565 0.0507
Onchocerca volvulus 0.0286 0.7991 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0485 0.05
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0485 0.0792
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1604 0.262
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.046 0.0632
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0565 0.0744
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3467 0.3575
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0224 0.6122 1
Echinococcus multilocularis tar DNA binding protein 0.0135 0.3467 0.5663
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.1305 0.2132
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0291 0.0339
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0565 0.0732
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0411 0.0507
Schistosoma mansoni hypothetical protein 0.0205 0.5547 0.572
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0291 0.0475
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.2417 0.3948
Mycobacterium tuberculosis Conserved protein 0.003 0.0291 0.0339
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0565 0.0714
Echinococcus multilocularis zinc finger protein 0.0023 0.0088 0.0144
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.7116 1
Loa Loa (eye worm) MBCTL1 0.0063 0.1305 0.1853
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0749 0.1223
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0056 0.1074 0.1108
Brugia malayi mbt repeat family protein 0.0056 0.1074 0.147
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Brugia malayi beta-lactamase family protein 0.0039 0.0565 0.0732
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0565 0.1115
Loa Loa (eye worm) hypothetical protein 0.0035 0.046 0.0632
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.1305 0.2132
Brugia malayi beta-lactamase 0.0039 0.0565 0.0732
Echinococcus granulosus dna polymerase kappa 0.0023 0.0102 0.0167
Toxoplasma gondii ABC1 family protein 0.0039 0.0565 0.3266
Brugia malayi Pre-SET motif family protein 0.0036 0.0485 0.0615
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1604 0.1654
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0565 0.0714
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2427 0.2503
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0102 0.0058
Schistosoma mansoni hypothetical protein 0.0024 0.0125 0.0129
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3467 0.3575
Brugia malayi mbt repeat family protein 0.0056 0.1074 0.147
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0874 0.1427
Loa Loa (eye worm) hypothetical protein 0.0056 0.1074 0.1519
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0565 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0102 0.0167
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0291 0.0325
Echinococcus granulosus polycomb protein SCMH1 0.0056 0.1074 0.1754
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0102 0.0059
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1604 0.3415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2427 0.2503
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0102 0.0041
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0056 0.1082 0.1768
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0056 0.1074 0.0816
Trypanosoma brucei unspecified product 0.0023 0.0102 0.0058
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.7116 1
Entamoeba histolytica hypothetical protein 0.0028 0.025 0.019
Brugia malayi RNA binding protein 0.0135 0.3467 0.4944
Loa Loa (eye worm) hypothetical protein 0.0039 0.0565 0.0785
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.2417 0.3948
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0102 0.0105
Echinococcus granulosus peregrin 0.0038 0.0542 0.0886
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0061 0.01
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3467 0.3575
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0192 0.0314
Onchocerca volvulus 0.01 0.2417 0.2599
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.025 0.0418
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0565 0.0714
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2427 0.2503
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0102 0.0167
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0102 0.0058
Echinococcus granulosus SAM and MBT domain containing protein 0.0056 0.1074 0.1754
Mycobacterium tuberculosis Conserved protein 0.0039 0.0565 0.0744
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.025 0.0268
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1604 1
Brugia malayi Pre-SET motif family protein 0.0251 0.6949 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.1305 0.1806
Brugia malayi PHD-finger family protein 0.0035 0.046 0.0578
Brugia malayi Bromodomain containing protein 0.0088 0.203 0.2859
Schistosoma mansoni zinc finger protein 0.0023 0.0088 0.0091
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.7116 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.3586 0.5145
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.025 0.4745
Leishmania major hypothetical protein, conserved 0.0039 0.0565 0.0714
Mycobacterium ulcerans lipase LipD 0.0039 0.0565 0.1115
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.2417 0.2493
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0102 0.0058
Mycobacterium ulcerans beta-lactamase 0.0039 0.0565 0.1115
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0565 0.0744
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.046 0.2581
Schistosoma mansoni hypothetical protein 0.0205 0.5547 0.572
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0874 0.1427
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.025 0.3749
Brugia malayi Bromodomain containing protein 0.0038 0.0542 0.0698
Schistosoma mansoni ap endonuclease 0.0022 0.0061 0.0063
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0056 0.1082 0.1116

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7308 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) 3.5481 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) = 10 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 15.8114 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 15.8489 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 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 (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) 31.6228 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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