Detailed information for compound 1690182

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 740.838 | Formula: C42H48N2O10
  • H donors: 3 H acceptors: 7 LogP: 7.15 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC1O[C@H]2[C@](O1)(C(=O)COC(=O)C(c1ccccc1/N=N/c1ccc(c(c1)C(=O)O)O)(C)C)[C@@]1([C@@H](C2)[C@@H]2CCC3=CC(=O)C=C[C@@]3([C@H]2[C@H](C1)O)C)C
  • InChi: 1S/C42H48N2O10/c1-6-9-35-53-34-20-29-26-14-12-23-18-25(45)16-17-40(23,4)36(26)32(47)21-41(29,5)42(34,54-35)33(48)22-52-38(51)39(2,3)28-10-7-8-11-30(28)44-43-24-13-15-31(46)27(19-24)37(49)50/h7-8,10-11,13,15-19,26,29,32,34-36,46-47H,6,9,12,14,20-22H2,1-5H3,(H,49,50)/b44-43+/t26-,29-,32-,34+,35?,36+,40-,41-,42+/m0/s1
  • InChiKey: SALUHOMWFUCKLP-DSZUPTJQSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) hypothetical protein 0.015 0.0914 0.1515
Loa Loa (eye worm) hypothetical protein 0.0048 0.016 0.0265
Loa Loa (eye worm) MH1 domain-containing protein 0.0058 0.0234 0.0389
Echinococcus granulosus tar DNA binding protein 0.0191 0.1215 0.1215
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0643 0.4528 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0251 0.1653 1
Echinococcus multilocularis peregrin 0.003 0.0028 0.0028
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0357 0.0593
Schistosoma mansoni cellular tumor antigen P53 0.005 0.018 0.018
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0251 0.1653 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0074 0.0357 0.0321
Echinococcus granulosus Smad4 0.0058 0.0234 0.0234
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0251 0.1653 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0028 0.0028
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.034 0.034
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0113 0.0113
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.0914 0.1515
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0074 0.0357 0.0321
Schistosoma mansoni smad1 5 8 and 0.0058 0.0234 0.0234
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0643 0.4528 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0056 0.0219 0.0424
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0643 0.4528 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0033 0.0033
Brugia malayi Zinc finger, C2H2 type family protein 0.0251 0.1653 0.274
Brugia malayi MH1 domain containing protein 0.0032 0.0045 0.0075
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.016 0.0265
Plasmodium falciparum acyl-CoA synthetase 0.0056 0.0219 0.0424
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0074 0.0074
Echinococcus granulosus smad 0.0058 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0056 0.0219 0.0363
Schistosoma mansoni tar DNA-binding protein 0.0191 0.1215 0.1215
Schistosoma mansoni Smad4 0.0058 0.0234 0.0234
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0033 0.0033
Schistosoma mansoni tar DNA-binding protein 0.0191 0.1215 0.1215
Onchocerca volvulus 0.005 0.018 0.1139
Echinococcus multilocularis tar DNA binding protein 0.0191 0.1215 0.1215
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0074 0.0123
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0643 0.4528 1
Plasmodium vivax SET domain protein, putative 0.003 0.0033 0.0012
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.026 0.0431
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0056 0.0219 0.0363
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0191 0.1215 0.2015
Brugia malayi MH1 domain containing protein 0.0032 0.0045 0.0075
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0643 0.4528 0.5
Loa Loa (eye worm) Smad1 0.0058 0.0234 0.0389
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0251 0.1653 0.1653
Echinococcus multilocularis smad 0.0058 0.0234 0.0234
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.016 0.016
Onchocerca volvulus 0.003 0.0033 0.0212
Loa Loa (eye worm) hypothetical protein 0.0074 0.0357 0.0593
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0074 0.0357 0.0321
Brugia malayi hypothetical protein 0.0072 0.034 0.0563
Echinococcus multilocularis GPCR, family 2 0.0048 0.016 0.016
Loa Loa (eye worm) TAR-binding protein 0.0191 0.1215 0.2015
Schistosoma mansoni tar DNA-binding protein 0.0191 0.1215 0.1215
Schistosoma mansoni hypothetical protein 0.0048 0.016 0.016
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.0914 0.1515
Brugia malayi MH2 domain containing protein 0.0058 0.0234 0.0389
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0357 0.0321
Brugia malayi Smad1 0.0058 0.0234 0.0389
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0251 0.1653 0.1653
Loa Loa (eye worm) nuclear factor I 0.0032 0.0045 0.0075
Loa Loa (eye worm) hypothetical protein 0.0103 0.0565 0.0936
Entamoeba histolytica acyl-CoA synthetase, putative 0.0074 0.0357 0.0134
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.016 0.016
Brugia malayi MH1 domain containing protein 0.0058 0.0234 0.0389
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0033 0.0033
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.1364 0.2262
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0643 0.4528 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0033 0.0012
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0074 0.0357 0.0371
Echinococcus granulosus peregrin 0.003 0.0028 0.0028
Loa Loa (eye worm) RNA binding protein 0.0191 0.1215 0.2015
Brugia malayi RNA binding protein 0.0191 0.1215 0.2015
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0643 0.4528 0.7508
Brugia malayi Pre-SET motif family protein 0.003 0.0033 0.0055
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0033 0.0033
Loa Loa (eye worm) MH2 domain-containing protein 0.0847 0.6031 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0357 0.0593
Mycobacterium ulcerans hypothetical protein 0.0074 0.0357 0.0321
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0033 0.0033
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0357 0.0321
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0028 0.0047
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0251 0.1653 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0251 0.1653 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.016 0.016
Brugia malayi Pre-SET motif family protein 0.0212 0.1364 0.2262
Onchocerca volvulus 0.0074 0.0357 0.2264
Echinococcus granulosus tumor protein p63 0.0344 0.2333 0.2333
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0072 0.034 0.034
Echinococcus multilocularis microtubule associated protein 2 0.1388 1 1
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0377 0.0377
Loa Loa (eye worm) MH2 domain-containing protein 0.0058 0.0234 0.0389
Echinococcus granulosus TGF beta signal transducer SmadC 0.0058 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.003 0.0028 0.0047
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0058 0.0234 0.0234
Schistosoma mansoni smad1 5 8 and 0.0058 0.0234 0.0234
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0048 0.016 0.016
Echinococcus multilocularis tumor protein p63 0.0344 0.2333 0.2333
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0565 0.0936
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0032 0.0045 0.0075
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0251 0.1653 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0251 0.1653 0.1653
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0643 0.4528 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0058 0.0234 0.0234
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0033 0.0033
Schistosoma mansoni tar DNA-binding protein 0.0191 0.1215 0.1215
Loa Loa (eye worm) hypothetical protein 0.003 0.0033 0.0055
Loa Loa (eye worm) hypothetical protein 0.0074 0.0357 0.0593
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.034 0.034
Schistosoma mansoni hypothetical protein 0.0048 0.016 0.016
Leishmania major dihydroorotate dehydrogenase 0.0643 0.4528 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.0643 0.4528 1
Brugia malayi RNA recognition motif domain containing protein 0.0191 0.1215 0.2015
Echinococcus granulosus mothers against decapentaplegic 5 0.0058 0.0234 0.0234
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0643 0.4528 1
Schistosoma mansoni smad 0.0058 0.0234 0.0234
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0523 0.0523
Brugia malayi jmjC domain containing protein 0.0036 0.0074 0.0123
Schistosoma mansoni hypothetical protein 0.0048 0.016 0.016
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0025 0.0025
Schistosoma mansoni microtubule-associated protein tau 0.1388 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0219 0.0363
Brugia malayi MH1 domain containing protein 0.0058 0.0234 0.0389
Echinococcus multilocularis Smad4 0.0058 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0051 0.0184 0.0305
Brugia malayi MH2 domain containing protein 0.0847 0.6031 1
Schistosoma mansoni hypothetical protein 0.0103 0.0565 0.0565
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0113 0.0113
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.016 0.0265
Onchocerca volvulus 0.0241 0.1579 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0523 0.0523
Echinococcus granulosus GPCR family 2 0.0048 0.016 0.016
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0357 0.0593
Giardia lamblia PHD finger protein 15 0.003 0.0028 0.5
Brugia malayi Bromodomain containing protein 0.003 0.0028 0.0047
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0251 0.1653 1
Brugia malayi MH2 domain containing protein 0.0058 0.0234 0.0389
Brugia malayi PHD-finger family protein 0.003 0.0028 0.0047
Loa Loa (eye worm) hypothetical protein 0.0056 0.0219 0.0363
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0028 0.0028
Loa Loa (eye worm) transcription factor SMAD2 0.0847 0.6031 1
Schistosoma mansoni tar DNA-binding protein 0.0191 0.1215 0.1215
Loa Loa (eye worm) hypothetical protein 0.005 0.018 0.0298
Loa Loa (eye worm) hypothetical protein 0.0056 0.0219 0.0363
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0643 0.4528 0.7508
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.034 0.034
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.0914 0.1515
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0074 0.0357 0.0371
Brugia malayi TAR-binding protein 0.0191 0.1215 0.2015
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.016 0.016
Schistosoma mansoni hypothetical protein 0.003 0.0028 0.0028
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0251 0.1653 0.1653
Echinococcus multilocularis mothers against decapentaplegic 5 0.0058 0.0234 0.0234
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0074 0.0357 0.0321
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0056 0.0219 0.0052
Entamoeba histolytica acyl-CoA synthetase, putative 0.0074 0.0357 0.0134
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0643 0.4528 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.0643 0.4528 0.4528
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0357 0.0321
Brugia malayi jmjC domain containing protein 0.0097 0.0523 0.0868
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0028 0.0028
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0643 0.4528 1
Onchocerca volvulus Alhambra homolog 0.003 0.0028 0.0179
Brugia malayi Latrophilin receptor protein 2 0.0048 0.016 0.0265
Entamoeba histolytica acyl-coA synthetase, putative 0.0074 0.0357 0.0134
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0056 0.0219 0.5
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0357 0.0593
Schistosoma mansoni smad1 5 8 and 0.0058 0.0234 0.0234

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.

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