Detailed information for compound 690517

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.383 | Formula: C21H18FN3O5
  • H donors: 1 H acceptors: 3 LogP: 3.33 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccccc1NC(=O)c1nn(c(=O)cc1OC)c1ccc(cc1)F
  • InChi: 1S/C21H18FN3O5/c1-3-30-21(28)15-6-4-5-7-16(15)23-20(27)19-17(29-2)12-18(26)25(24-19)14-10-8-13(22)9-11-14/h4-12H,3H2,1-2H3,(H,23,27)
  • InChiKey: KQCXNPUMZGQRCS-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
Echinococcus granulosus GPCR family 2 0.0016 0.0288 0.0215
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0288 0.0215
Chlamydia trachomatis peptide deformylase 0.0236 0.5689 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0288 0.0215
Echinococcus granulosus pyruvate kinase 0.0034 0.0722 0.0653
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.099 0.0922
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.099 0.099
Echinococcus granulosus pyruvate kinase 0.0017 0.0321 0.0249
Echinococcus multilocularis pyruvate kinase 0.0026 0.0549 0.0478
Plasmodium falciparum peptide deformylase 0.0236 0.5689 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1129 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0118 0.0434
Echinococcus multilocularis pyruvate kinase 0.0017 0.0321 0.0249
Echinococcus multilocularis pyruvate kinase 0.0034 0.0722 0.0653
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0722 0.6149
Echinococcus multilocularis pyruvate kinase 0.0017 0.0321 0.0249
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.099 0.099
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0288 0.2042
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0722 0.6149
Echinococcus multilocularis dnaJ subfamily B 0.0411 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0722 0.6149
Giardia lamblia Pyruvate kinase 0.0034 0.0722 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0608 0.5065
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0722 0.0747
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0288 0.2042
Trypanosoma cruzi Peptide deformylase 2, putative 0.009 0.2108 1
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0722 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0321 0.0249
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1129 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.009 0.2108 1
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Schistosoma mansoni cpg binding protein 0.0029 0.0608 0.0608
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1403 0.1403
Treponema pallidum polypeptide deformylase (def) 0.0236 0.5689 0.5
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0722 0.6149
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0722 0.6149
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.009 0.2108 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0608 0.5065
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0236 0.5689 0.5
Echinococcus granulosus cpg binding protein 0.0031 0.0648 0.0578
Schistosoma mansoni pyruvate kinase 0.0034 0.0722 0.0722
Echinococcus granulosus pyruvate kinase 0.0034 0.0722 0.0653
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0722 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0115 0.0407
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0288 0.0215
Echinococcus granulosus geminin 0.0346 0.8399 0.8387
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.099 0.099
Echinococcus multilocularis GPCR, family 2 0.0016 0.0288 0.0215
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.074 0.6317
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0473 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.074 0.6317
Trypanosoma brucei Polypeptide deformylase 1 0.009 0.2108 1
Plasmodium falciparum pyruvate kinase 0.0034 0.0722 0.0747
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.005 0.1129 1
Plasmodium vivax peptide deformylase, putative 0.0236 0.5689 1
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.0148 0.0716
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0722 0.0747
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1129 1
Toxoplasma gondii hypothetical protein 0.0236 0.5689 1
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Leishmania major polypeptide deformylase-like protein, putative 0.009 0.2108 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0288 0.2042
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Echinococcus multilocularis pyruvate kinase 0.0017 0.0321 0.0249
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.009 0.2108 1
Echinococcus multilocularis pyruvate kinase 0.0034 0.0722 0.0653
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0722 0.6149
Schistosoma mansoni pyruvate kinase 0.0017 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.0023 0.0473 0.3792
Schistosoma mansoni pyruvate kinase 0.0034 0.0722 0.0722
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.099 0.0922
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Echinococcus multilocularis geminin 0.0346 0.8399 0.8387
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1242 0.1716
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0288 0.0215
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.099 0.8682
Echinococcus granulosus pyruvate kinase 0.0017 0.0321 0.0249
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0722 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.099 0.0922
Schistosoma mansoni hypothetical protein 0.0346 0.8399 0.8399
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0722 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0288 0.2042
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.099 0.8682
Echinococcus multilocularis cpg binding protein 0.0031 0.0648 0.0578
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0722 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0236 0.5689 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0236 0.5689 1
Trypanosoma brucei Peptide deformylase 2 0.009 0.2108 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.099 0.0922
Schistosoma mansoni hypothetical protein 0.0034 0.074 0.074
Mycobacterium ulcerans peptide deformylase 0.0236 0.5689 1
Schistosoma mansoni hypothetical protein 0.0411 1 1
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Schistosoma mansoni hypothetical protein 0.0346 0.8399 0.8399
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0473 0.3792

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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