Detailed information for compound 1485678

Basic information

Technical information
  • TDR Targets ID: 1485678
  • Name: Quinocarcin citrate
  • MW: 522.502 | Formula: C24H30N2O11
  • H donors: 5 H acceptors: 9 LogP: -5.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(CC(=O)O)(CC(=O)O)O.COc1cccc2c1C1COC3N1C(C2)C1C(CC3N1C)C(=O)O
  • InChi: 1S/C18H22N2O4.C6H8O7/c1-19-12-7-10(18(21)22)16(19)11-6-9-4-3-5-14(23-2)15(9)13-8-24-17(12)20(11)13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,10-13,16-17H,6-8H2,1-2H3,(H,21,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
  • InChiKey: MTZMRPGOPJFNLW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Quinocarmycin
  • DC-52 citrate
  • KW-2152
  • NSC-601422

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 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) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
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 donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense isocitrate dehydrogenase, 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense 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_127917 All targets in OG5_127917
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis 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
Toxoplasma gondii 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei isocitrate dehydrogenase, putative 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
Brugia malayi Isocitrate dehydrogenase 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
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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 mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum phd finger protein, putative 0.0035 0.0107 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.2229 1 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.003 0.2842
Brugia malayi Pre-SET motif family protein 0.0207 0.088 1
Loa Loa (eye worm) hypothetical protein 0.2229 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0039 0.0039
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0034 0.0283
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0058 0.0661
Schistosoma mansoni hypothetical protein 0.0205 0.0871 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0039 0.4534
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0039 0.044
Brugia malayi Muscleblind-like protein 0.0154 0.0642 0.7289
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0082 0.094
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.022 0.2528
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.014 0.1517
Onchocerca volvulus 0.0235 0.1009 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0058 0.1467
Onchocerca volvulus Alhambra homolog 0.0035 0.0107 0.0512
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.003 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.022 0.022
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0085 0.0085
Schistosoma mansoni hypothetical protein 0.0035 0.0107 0.1227
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0034 0.0392
Brugia malayi jmjC domain containing protein 0.0043 0.014 0.1593
Loa Loa (eye worm) hypothetical protein 0.2229 1 1
Plasmodium vivax SET domain protein, putative 0.003 0.0082 0.7658
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0468 0.5323
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.022 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0085 0.7988
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.039
Brugia malayi MH2 domain containing protein 0.0144 0.0598 0.6794
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.014 0.1517
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0082 0.0838
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0039 0.3622
Loa Loa (eye worm) hypothetical protein 0.006 0.022 0.022
Schistosoma mansoni hypothetical protein 0.0205 0.0871 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0034 0.0425
Loa Loa (eye worm) hypothetical protein 0.0154 0.0642 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0361 0.4148
Schistosoma mansoni hypothetical protein 0.0041 0.0134 0.1535
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0034 0.0283
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0034 0.0034
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0058 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0039 0.0337
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.003 0.2842
Brugia malayi hypothetical protein 0.002 0.0037 0.0417
Trichomonas vaginalis set domain proteins, putative 0.0235 0.1009 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0034 0.0386
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0039 0.3622
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0034 0.3195
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0034 0.0034
Echinococcus multilocularis peregrin 0.0035 0.0107 0.1129
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0039 0.0891
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0107 0.1129
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0107 0.1129
Brugia malayi PHD-finger family protein 0.0035 0.0107 0.1214
Brugia malayi Bromodomain containing protein 0.0035 0.0107 0.1214
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.014 0.014
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.003 0.0231
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0284
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0598 0.0598
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0107 0.0107
Brugia malayi jmjC domain containing protein 0.0115 0.0468 0.5316
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.014 0.1611
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.039
Toxoplasma gondii hypothetical protein 0.2229 1 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0107 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0169 0.1851
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0034 0.0283
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0468 0.5323
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0598 0.0598
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.022 0.2444
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0107 0.0107
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0039 0.0439
Brugia malayi Pre-SET motif family protein 0.003 0.0082 0.093
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.022 0.2528
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0013 0.0005 0.0056
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0058 0.1294
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0169 0.1851
Leishmania major hypothetical protein, conserved 0.003 0.0085 0.2754
Loa Loa (eye worm) hypothetical protein 0.0024 0.0058 0.0058
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0039 0.0891
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.039
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0085 1
Brugia malayi hypothetical protein 0.003 0.0085 0.097
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0039 0.066
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0039 0.0245
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0058 0.1467
Loa Loa (eye worm) hypothetical protein 0.006 0.022 0.022
Echinococcus granulosus GPCR family 2 0.0019 0.0034 0.0283
Giardia lamblia PHD finger protein 15 0.0035 0.0107 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0058 0.1294
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0134 0.1518
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0034 0.0388
Loa Loa (eye worm) hypothetical protein 0.0154 0.0642 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.022 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0058 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0077 0.0781
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.022 1
Schistosoma mansoni hypothetical protein 0.0014 0.001 0.0111
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0034 0.3195
Brugia malayi isocitrate dehydrogenase 0.0019 0.0034 0.0388
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0039 0.0337
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0085 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0085 0.0085
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0034 0.4
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0058 0.0661
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.022 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0085 0.7988
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0284
Loa Loa (eye worm) hypothetical protein 0.0019 0.0034 0.0034
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0058 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0284
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0058 0.1467
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0085 0.7988
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0058 0.1467
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.088 0.088
Echinococcus multilocularis muscleblind protein 1 0.0154 0.0642 0.734
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0058 0.1664
Loa Loa (eye worm) hypothetical protein 0.0041 0.0134 0.0134
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0034 0.0284
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0034 0.0284
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0058 0.1467
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0034 0.0034
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.022 0.2494
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0082 0.094
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0082 0.0838
Echinococcus granulosus peregrin 0.0035 0.0107 0.1129
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.014 0.1611
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0082 0.094
Mycobacterium ulcerans hypothetical protein 0.0024 0.0058 0.1467
Toxoplasma gondii exonuclease III APE 0.002 0.0039 0.0039
Echinococcus granulosus muscleblind protein 0.0154 0.0642 0.734
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0058 0.1467
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.022 0.2444
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0058 0.1294
Schistosoma mansoni ap endonuclease 0.002 0.0039 0.0444
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0034 0.0283
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0039 0.5
Echinococcus granulosus geminin 0.0205 0.0871 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0058 0.0661
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0039 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0034 0.0386
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.022 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0058 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0034 0.0034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.022 0.022
Echinococcus multilocularis GPCR, family 2 0.0019 0.0034 0.0283
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.039
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0082 0.0838
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0082 0.094
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0024 0.0058 0.0058
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0284
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0085 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0107 0.1227
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0034 0.4
Loa Loa (eye worm) hypothetical protein 0.0024 0.0058 0.0058
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.022 0.2494
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0058 0.1664
Schistosoma mansoni ap endonuclease 0.002 0.0039 0.0444
Echinococcus multilocularis muscleblind protein 0.0154 0.0642 0.734
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0058 0.1467
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0276 0.0276
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0082 0.0082
Echinococcus multilocularis geminin 0.0205 0.0871 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0058 1
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0.0005 0.0056
Onchocerca volvulus 0.003 0.0082 0.0248
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0107

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5929 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) 3.6626 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) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 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) 6.3096 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) 7.5193 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 19.9526 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 for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 47.7548 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.

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