Detailed information for compound 1576551

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 521.56 | Formula: C27H24FN3O5S
  • H donors: 1 H acceptors: 5 LogP: 4.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1cc2c(cc1N1CCN(CC1)S(=O)(=O)c1cccc3c1cccc3)n(cc(c2=O)C(=O)O)C1CC1
  • InChi: 1S/C27H24FN3O5S/c28-22-14-20-23(31(18-8-9-18)16-21(26(20)32)27(33)34)15-24(22)29-10-12-30(13-11-29)37(35,36)25-7-3-5-17-4-1-2-6-19(17)25/h1-7,14-16,18H,8-13H2,(H,33,34)
  • InChiKey: SQGQWYBEUJTSBU-UHFFFAOYSA-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
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0061 0.0023
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0009 0.0088
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0009 0.0088
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0088
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0061 0.0023
Brugia malayi hypothetical protein 0.0055 0.0147 0.374
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0088
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.005 0.0473
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0147 0.2324
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0009 0.0088
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0009 0.0088
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0009 0.0088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0144 0.3656
Echinococcus granulosus importin subunit beta 1 0.0032 0.0073 0.0691
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0061 0.0201
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0088
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.013 0.0392 0.5
Echinococcus multilocularis snurportin 1 0.0337 0.1062 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0088
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0009 0.0088
Loa Loa (eye worm) hypothetical protein 0.0032 0.0073 0.0691
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0009 0.0088
Onchocerca volvulus 0.013 0.0392 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0009 0.0238
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0144 0.1357
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0088
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.013 0.0392 0.3694
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0073 0.0691
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0009 0.0088
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0061 0.1543
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0061 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0009 0.0238
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0009 0.0088
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0009 0.0088
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0009 0.0088
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0061 0.0023
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0009 0.0088
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0147 0.2324
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0061 0.1543
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0009 0.0088
Brugia malayi Importin beta-1 subunit 0.0032 0.0073 0.1861
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0009 0.0088
Brugia malayi steroid hormone receptor 0.0012 0.0009 0.0238
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0061 0.1543
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0009 0.0088
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0394 0.3712
Loa Loa (eye worm) hypothetical protein 0.0021 0.0038 0.0359
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0061 0.0026
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0009 0.0238
Leishmania major hypothetical protein, conserved 0.0055 0.0147 0.2762
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.013 0.0392 0.3694
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.013 0.0392 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0009 0.0088
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0009 0.0088
Brugia malayi nuclear hormone receptor 0.0012 0.0009 0.0238
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.013 0.0392 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0009 0.0238
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0009 0.0088
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0147 0.3087
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0009 0.0238
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.005 0.0473
Schistosoma mansoni coup transcription factor 0.0012 0.0009 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0009 0.0238
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0147 0.2762
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0009 0.0238
Plasmodium vivax importin-beta 2, putative 0.0032 0.0073 0.0994
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0038 0.0004
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.013 0.0392 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0009 0.0088
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0061 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0009 0.0238
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0009 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0009 0.0238
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0394 0.3712
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0009 0.0238
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0009 0.0088
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0009 0.0088
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.013 0.0392 1
Brugia malayi MH2 domain containing protein 0.0131 0.0394 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.013 0.0392 0.3694
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.013 0.0392 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0038 0.0359
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0009 0.0088
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0009 0.0088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0144 0.1357
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0061 0.0201
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0009 0.0238
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0009 0.0088
Brugia malayi hypothetical protein 0.0035 0.0085 0.2156
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.013 0.0392 0.0355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0009 0.0088
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0009 0.0088
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0009 0.0088
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0337 0.1062 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0009 0.0088
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.013 0.0392 0.995
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.3103 1 1
Schistosoma mansoni hypothetical protein 0.0337 0.1062 1
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.118 0.3783 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.0061 0.0201
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0009 0.0088
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0009 0.0088
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0061 0.0023
Loa Loa (eye worm) hypothetical protein 0.0021 0.0038 0.0359
Brugia malayi RNA, U transporter 1 0.009 0.0262 0.6639
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.013 0.0392 0.3694
Loa Loa (eye worm) hypothetical protein 0.0021 0.0038 0.0359
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0147 0.3087
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.3103 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0144 0.1357
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.118 0.3783 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0144 0.1357
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0147 0.3087
Loa Loa (eye worm) hypothetical protein 0.0021 0.0038 0.0359
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0061 0.0023
Brugia malayi ecdysteroid receptor 0.0012 0.0009 0.0238
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0144 0.1357
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0009 0.0088
Onchocerca volvulus 0.0028 0.0061 0.1343
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0009 0.0088
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.013 0.0392 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0009 0.0238
Schistosoma mansoni hypothetical protein 0.0024 0.005 0.0473
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0009 0.0088
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0009 0.0238
Loa Loa (eye worm) hypothetical protein 0.0055 0.0147 0.1389
Mycobacterium ulcerans hypothetical protein 0.0028 0.0061 0.0023
Loa Loa (eye worm) hypothetical protein 0.0028 0.0061 0.0573
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0009 0.0238
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0009 0.0238
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0009 0.0238
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0061 0.0201
Loa Loa (eye worm) hypothetical protein 0.0028 0.0061 0.0573
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0061 0.0026
Schistosoma mansoni importin beta-1 0.0032 0.0073 0.0691
Brugia malayi nuclear receptor NHR-88 0.0012 0.0009 0.0238
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0009 0.0088
Echinococcus granulosus snurportin 1 0.0337 0.1062 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0009 0.0088
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0088
Plasmodium falciparum importin beta, putative 0.0032 0.0073 0.0994
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.3103 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0009 0.0088
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0061 0.0023
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0147 0.2762
Loa Loa (eye worm) hypothetical protein 0.013 0.0392 0.3694
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.013 0.0392 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0144 0.1357
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0088
Loa Loa (eye worm) hypothetical protein 0.0028 0.0061 0.0573
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0144 0.1357
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.013 0.0392 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0061 0.0201
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0009 0.0088
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.013 0.0392 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0144 0.1357

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.0613 umol/ml Antibacterial activity against Escherichia coli ATCC 25922 after 18 hrs by EUCAST broth dilution method ChEMBL. 21982337

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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