Detailed information for compound 1022530

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.448 | Formula: C23H25NO5
  • H donors: 2 H acceptors: 3 LogP: 4.23 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)OCCCCN1CCCC1
  • InChi: 1S/C23H25NO5/c25-17-7-5-16(6-8-17)19-15-29-21-14-18(13-20(26)22(21)23(19)27)28-12-4-3-11-24-9-1-2-10-24/h5-8,13-15,25-26H,1-4,9-12H2
  • InChiKey: YIKYJZSJVNHXAV-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
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.005 0.0132
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0029 0.064
Brugia malayi Doublecortin family protein 0.0022 0.0013 0.0295
Schistosoma mansoni inositol monophosphatase 0.0042 0.005 0.0176
Plasmodium vivax multidomain scavenger receptor, putative 0.0022 0.0013 0.0013
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0013 0.0047
Loa Loa (eye worm) hypothetical protein 0.0016 0 0.0008
Mycobacterium ulcerans acyl-CoA synthetase 0.0052 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0039 0.0045 0.0997
Echinococcus multilocularis lamin 0.0031 0.0029 0.0101
Loa Loa (eye worm) hypothetical protein 0.0057 0.0078 0.1731
Brugia malayi Protein kinase domain containing protein 0.0015 0.0000091328 0.0002
Onchocerca volvulus 0.0031 0.0029 0.4125
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.007 0.007
Schistosoma mansoni polycystin 1-related 0.0022 0.0013 0.0047
Trypanosoma cruzi Peptide deformylase 2, putative 0.2032 0.3798 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.005 0.0132
Schistosoma mansoni hypothetical protein 0.0018 0.0005 0.0017
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0052 0.007 0.007
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.005 0.0132
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0052 0.007 0.007
Leishmania major 4-coumarate:coa ligase-like protein 0.0052 0.007 0.0184
Echinococcus multilocularis GPCR, family 2 0.0018 0.0005 0.0017
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0052 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0039 0.0045 0.0997
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0295
Schistosoma mansoni lamin 0.0031 0.0029 0.0101
Loa Loa (eye worm) hypothetical protein 0.0052 0.007 0.1552
Schistosoma mansoni hypothetical protein 0.0018 0.0005 0.0017
Echinococcus granulosus microtubule associated protein 2 0.1525 0.2843 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0042 0.0042
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0041 0.0041
Plasmodium falciparum peptide deformylase 0.5326 1 1
Echinococcus multilocularis musashi 0.0031 0.0029 0.0101
Entamoeba histolytica hypothetical protein 0.0039 0.0044 0.6278
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0044 0.0154
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0016 0 0.0001
Schistosoma mansoni hypothetical protein 0.0018 0.0005 0.0017
Brugia malayi hypothetical protein 0.0022 0.0013 0.0295
Brugia malayi Inositol-1 0.0042 0.005 0.1115
Mycobacterium ulcerans acyl-CoA synthetase 0.0052 0.007 0.007
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0044 0.0979
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0069 0.1526
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0044 0.0154
Echinococcus granulosus Ankyrin 0.0016 0 0.0001
Schistosoma mansoni lipoxygenase 0.0063 0.0089 0.0314
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0005 0.0107
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0005 0.0017
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0013 0.0047
Brugia malayi hypothetical protein 0.0022 0.0013 0.0295
Mycobacterium ulcerans acyl-CoA synthetase 0.0052 0.007 0.007
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0029 0.064
Schistosoma mansoni hypothetical protein 0.0022 0.0013 0.0047
Trypanosoma brucei Polypeptide deformylase 1 0.2032 0.3798 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0029 0.064
Echinococcus granulosus GPCR family 2 0.0018 0.0005 0.0017
Loa Loa (eye worm) hypothetical protein 0.003 0.0028 0.0617
Echinococcus granulosus lamin dm0 0.0031 0.0029 0.0101
Brugia malayi Uncoordinated protein 44 0.0015 0.0000091328 0.0002
Plasmodium vivax acyl-CoA synthetase, putative 0.0039 0.0045 0.0045
Onchocerca volvulus 0.0052 0.007 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.2032 0.3798 1
Echinococcus granulosus RUN 0.0022 0.0013 0.0047
Brugia malayi intermediate filament protein 0.0031 0.0029 0.064
Loa Loa (eye worm) hypothetical protein 0.0039 0.0045 0.0997
Brugia malayi AMP-binding enzyme family protein 0.0052 0.007 0.1552
Brugia malayi hypothetical protein 0.0039 0.0044 0.0974
Loa Loa (eye worm) hypothetical protein 0.0039 0.0045 0.0997
Trypanosoma brucei Peptide deformylase 2 0.2032 0.3798 1
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0044 0.0154
Trypanosoma cruzi Peptide deformylase 2, putative 0.2032 0.3798 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0039 0.0045 0.0045
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0063 0.0089 0.0314
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0013 0.0047
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.0042 0.0042
Mycobacterium ulcerans hypothetical protein 0.0052 0.007 0.007
Schistosoma mansoni lamin 0.0031 0.0029 0.0101
Loa Loa (eye worm) hypothetical protein 0.0018 0.0005 0.0107
Loa Loa (eye worm) hypothetical protein 0.0052 0.007 0.1552
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.005 0.0132
Echinococcus multilocularis lamin dm0 0.0031 0.0029 0.0101
Plasmodium falciparum LCCL domain-containing protein 0.0022 0.0013 0.0013
Mycobacterium ulcerans peptide deformylase 0.5326 1 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0237 0.0418 0.1469
Entamoeba histolytica hypothetical protein 0.0039 0.0044 0.6278
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0052 0.007 0.007
Brugia malayi AMP-binding enzyme family protein 0.0052 0.007 0.1552
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0002 0.0043
Onchocerca volvulus 0.0052 0.0069 0.9832
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0078 0.1731
Loa Loa (eye worm) hypothetical protein 0.0015 0.0000091311 0.0002
Loa Loa (eye worm) hypothetical protein 0.0039 0.0044 0.0979
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0041 0.0041
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.005 0.7186
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0052 0.007 0.007
Treponema pallidum polypeptide deformylase (def) 0.5326 1 0.5
Schistosoma mansoni hypothetical protein 0.0052 0.0069 0.0241
Plasmodium falciparum acyl-CoA synthetase 0.0039 0.0045 0.0045
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0000091311 0.0002
Schistosoma mansoni microtubule-associated protein tau 0.1525 0.2843 1
Echinococcus granulosus intermediate filament protein 0.0031 0.0029 0.0101
Schistosoma mansoni rab6-interacting 0.0022 0.0013 0.0047
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.2032 0.3798 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0041 0.0041
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0029 0.064
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0005 0.0107
Toxoplasma gondii hypothetical protein 0.5326 1 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.5326 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.005 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0000091311 0.0002
Plasmodium vivax peptide deformylase, putative 0.5326 1 1
Echinococcus granulosus lamin 0.0031 0.0029 0.0101
Onchocerca volvulus 0.0022 0.0013 0.1898
Schistosoma mansoni hypothetical protein 0.0039 0.0044 0.0154
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0052 0.007 0.007
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0002 0.0043
Echinococcus multilocularis Ankyrin 0.0016 0 0.0001
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0063 0.0089 0.0314
Brugia malayi Death domain containing protein 0.0015 0.0000091328 0.0002
Echinococcus multilocularis microtubule associated protein 2 0.1525 0.2843 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0013 0.0047
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0078 0.1731
Leishmania major polypeptide deformylase-like protein, putative 0.2032 0.3798 1
Entamoeba histolytica hypothetical protein 0.0039 0.0044 0.6278
Loa Loa (eye worm) hypothetical protein 0.0052 0.007 0.1552
Schistosoma mansoni lipoxygenase 0.0022 0.0013 0.0047
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0005 0.0017
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0039 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0254 0.0449 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0052 0.007 0.007
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.005 1
Brugia malayi AMP-binding enzyme family protein 0.0052 0.007 0.1552
Loa Loa (eye worm) doublecortin family protein 0.0022 0.0013 0.0295
Brugia malayi hypothetical protein 0.0254 0.0449 1
Echinococcus granulosus survival motor neuron protein 1 0.0254 0.0449 0.1579
Entamoeba histolytica acyl-coA synthetase, putative 0.0052 0.007 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0005 0.0017
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.5326 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0052 0.007 0.0184
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.005 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0237 0.0418 0.1469
Leishmania major 4-coumarate:coa ligase-like protein 0.0052 0.007 0.0184
Onchocerca volvulus Netrin receptor homolog 0.0015 0.0000091311 0.0013
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0005 0.0107
Echinococcus multilocularis survival motor neuron protein 1 0.0254 0.0449 0.1579
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.005 0.0176
Loa Loa (eye worm) inositol-1 0.0042 0.005 0.1115
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.005 0.0176
Entamoeba histolytica acyl-CoA synthetase, putative 0.0052 0.007 1
Onchocerca volvulus 0.0022 0.0013 0.1898
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.005 0.005
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0005 0.0017
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0295
Schistosoma mansoni loxhd1 0.0022 0.0013 0.0047
Schistosoma mansoni rab6-interacting 0.0022 0.0013 0.0047
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.5326 1 1
Schistosoma mansoni survival motor neuron protein 0.0052 0.0069 0.0241
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0041 0.0041
Echinococcus multilocularis RUN 0.0022 0.0013 0.0047
Echinococcus granulosus Polycystic kidney disease protein 0.0022 0.0013 0.0047
Entamoeba histolytica hypothetical protein 0.0039 0.0044 0.6278
Schistosoma mansoni inositol monophosphatase 0.0042 0.005 0.0176
Echinococcus multilocularis Polycystic kidney disease protein 0.0022 0.0013 0.0047
Schistosoma mansoni hypothetical protein 0.0018 0.0005 0.0017
Schistosoma mansoni hypothetical protein 0.0039 0.0044 0.0155
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.005 0.005
Entamoeba histolytica acyl-CoA synthetase, putative 0.0052 0.007 1
Onchocerca volvulus 0.0031 0.0029 0.4125
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0078 0.1731
Loa Loa (eye worm) hypothetical protein 0.0039 0.0045 0.0997
Schistosoma mansoni intermediate filament proteins 0.0031 0.0029 0.0101

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 50 ug ml-1 Antibacterial activity against Escherichia coli after 24 hrs by MTT assay ChEMBL. 17977623
MIC (functional) > 50 ug ml-1 Antifungal activity against Candida albicans after 48 hrs by MTT assay ChEMBL. 17977623

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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