Detailed information for compound 557679

Basic information

Technical information
  • TDR Targets ID: 557679
  • Name: quinocarcin
  • 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.COc1cccc2c1[C@H]1CO[C@@H]3N1[C@H](C2)C1[C@H](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)/t10-,11+,12?,13+,16?,17-;/m0./s1
  • InChiKey: MTZMRPGOPJFNLW-YFLVRMBNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3,6-Imino-1H-2-oxa-11c-azanaphth[1,2,3-cd]azulene- 5-carboxylic acid, 2a,3,4,5,6,6a,7,11b-octahydro- 11-methoxy-12-methyl-, (2a-.alpha.,3-.alpha.,5-.alpha., 6-.alpha.,6a-.alpha.,11b-.alpha.)-(-)-, 2-hydroxy-1,2,3- propanetricarboxylate (1:1) (salt)
  • Antibiotic DC-52 citrate
  • NSC601422
  • Quinocarcin monocitrate
  • Quinocarcinomycin monocitrate

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0039 0.066
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
Loa Loa (eye worm) hypothetical protein 0.006 0.022 0.022
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0039 0.0245
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0058 0.1467
Brugia malayi Pre-SET motif family protein 0.003 0.0082 0.093
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0058 0.1294
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0013 0.0005 0.0056
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.022 0.2528
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0039 0.0439
Leishmania major hypothetical protein, conserved 0.003 0.0085 0.2754
Loa Loa (eye worm) hypothetical protein 0.0024 0.0058 0.0058
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0169 0.1851
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
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0598 0.0598
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0284
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.014 0.1611
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
Brugia malayi Bromodomain containing protein 0.0035 0.0107 0.1214
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 multilocularis jumonji domain containing protein 0.0049 0.0169 0.1851
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.022 0.2444
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0107 0.0107
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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0034 0.3195
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0034 0.0034
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
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0107 0.1129
Brugia malayi PHD-finger family protein 0.0035 0.0107 0.1214
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0107 0.1129
Echinococcus multilocularis peregrin 0.0035 0.0107 0.1129
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0039 0.0891
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0058 1
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
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.003 0.2842
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0039 0.0337
Brugia malayi hypothetical protein 0.002 0.0037 0.0417
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0082 0.0838
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.014 0.1517
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0039 0.3622
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
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0154 0.0642 0.0642
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
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0058 0.1467
Onchocerca volvulus Alhambra homolog 0.0035 0.0107 0.0512
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0082 0.094
Onchocerca volvulus 0.0235 0.1009 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.022 0.2528
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.014 0.1517
Brugia malayi jmjC domain containing protein 0.0043 0.014 0.1593
Loa Loa (eye worm) hypothetical protein 0.2229 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0468 0.5323
Plasmodium vivax SET domain protein, putative 0.003 0.0082 0.7658
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.022 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.022 0.022
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.003 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0085 0.0085
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0034 0.0392
Schistosoma mansoni hypothetical protein 0.0035 0.0107 0.1227
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
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
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 hypothetical protein 0.0205 0.0871 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0058 0.0661
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0039 0.4534
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0039 0.044
Schistosoma mansoni ap endonuclease 0.002 0.0039 0.0444
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0058 0.1664
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
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
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0107
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0082 0.0082
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0058 1
Echinococcus multilocularis geminin 0.0205 0.0871 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 0.0024 0.0058 0.0058
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0284
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
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0085 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0034 0.0283
Schistosoma mansoni ap endonuclease 0.002 0.0039 0.0444
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
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0058 0.1294
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0082 0.0838
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.022 0.022
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.039
Echinococcus multilocularis GPCR, family 2 0.0019 0.0034 0.0283
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
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
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0082 0.094
Mycobacterium ulcerans hypothetical protein 0.0024 0.0058 0.1467
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.022 0.2444
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0058 0.1467
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Toxoplasma gondii exonuclease III APE 0.002 0.0039 0.0039
Echinococcus granulosus muscleblind protein 0.0154 0.0642 0.734
Loa Loa (eye worm) hypothetical protein 0.0041 0.0134 0.0134
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0034 0.0284
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
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
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 NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0284
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.022 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0085 0.7988
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 aldehyde dehydrogenase 0.006 0.022 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0034 0.3195
Schistosoma mansoni hypothetical protein 0.0014 0.001 0.0111
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0077 0.0781
Loa Loa (eye worm) hypothetical protein 0.003 0.0085 0.0085
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0058 0.0661
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0034 0.4
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 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Giardia lamblia PHD finger protein 15 0.0035 0.0107 1
Echinococcus granulosus GPCR family 2 0.0019 0.0034 0.0283
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0058 0.5
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

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.