Detailed information for compound 1017400

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.408 | Formula: C18H25N3O5
  • H donors: 1 H acceptors: 4 LogP: 2.69 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN(C[C@H](C(=O)N1CCCN1C(=O)c1ccco1)CC1CCCC1)O
  • InChi: 1S/C18H25N3O5/c22-13-19(25)12-15(11-14-5-1-2-6-14)17(23)20-8-4-9-21(20)18(24)16-7-3-10-26-16/h3,7,10,13-15,25H,1-2,4-6,8-9,11-12H2/t15-/m1/s1
  • InChiKey: XBOJQRINHJTABB-OAHLLOKOSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli peptide deformylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128237 All targets in OG5_128237
Neospora caninum Peptide deformylase, related Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium berghei peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) Get druggable targets OG5_128237 All targets in OG5_128237
Treponema pallidum polypeptide deformylase (def) Get druggable targets OG5_128237 All targets in OG5_128237
Chlamydia trachomatis peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium vivax peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Wolbachia endosymbiont of Brugia malayi peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium knowlesi peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium yoelii polypeptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium ulcerans peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium falciparum peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237

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 aldehyde dehydrogenase 0.0059 0.1103 0.0796
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0329 0.0539
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.4256 0.4127
Toxoplasma gondii hypothetical protein 0.0279 0.9814 1
Brugia malayi Pre-SET motif family protein 0.0225 0.7672 1
Brugia malayi Inositol-1 0.004 0.035 0.0397
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.4256 0.4228
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 0.9814 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 1 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1103 0.0796
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 1 1
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.2984 1
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.2984 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0091 0.2386 0.3067
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.035 0.0579
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0784 0.0967
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.2984 1
Onchocerca volvulus 0.0256 0.8902 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.2984 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.1965 0.3664
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Echinococcus granulosus geminin 0.0164 0.5281 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0047 0.0089
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.1083 0.1359
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Plasmodium vivax peptide deformylase, putative 0.0279 0.9814 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0784 0.0967
Schistosoma mansoni jumonji/arid domain-containing protein 0.0091 0.2386 0.4469
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 0.9814 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1103 0.2018
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.2984 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1103 0.2018
Schistosoma mansoni hypothetical protein 0.0164 0.5281 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.035 0.031
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.2984 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0091 0.2386 0.4469
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1103 0.1081
Schistosoma mansoni inositol monophosphatase 0.004 0.035 0.0579
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1103 0.0796
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0784 0.0967
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0784 0.0967
Echinococcus granulosus inositol monophosphatase 1 0.004 0.035 0.0663
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.7672 1
Schistosoma mansoni hypothetical protein 0.0164 0.5281 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.015 0.4699 0.8888
Plasmodium falciparum peptide deformylase 0.0279 0.9814 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0147 0.0131
Echinococcus granulosus lysine specific demethylase 5A 0.0091 0.2386 0.4518
Brugia malayi jmjC domain containing protein 0.015 0.4699 0.6101
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1103 0.2018
Mycobacterium ulcerans peptide deformylase 0.0279 0.9814 1
Schistosoma mansoni jumonji domain containing protein 0.0131 0.3945 0.7447
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.1965 0.372
Treponema pallidum fructose-bisphosphate aldolase 0.0283 1 1
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0329 0.0623
Schistosoma mansoni jumonji/arid domain-containing protein 0.0091 0.2386 0.4469
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1103 0.0954
Loa Loa (eye worm) hypothetical protein 0.0064 0.1293 0.1634
Brugia malayi jmjC domain containing protein 0.0091 0.2386 0.3067
Loa Loa (eye worm) hypothetical protein 0.0081 0.1965 0.2515
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 0.9814 1
Trypanosoma brucei Peptide deformylase 2 0.0106 0.2984 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Loa Loa (eye worm) inositol-1 0.004 0.035 0.0397
Schistosoma mansoni inositol monophosphatase 0.004 0.035 0.0579
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.1965 0.3664
Loa Loa (eye worm) hypothetical protein 0.0035 0.0147 0.0131
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1103 0.2089
Trichomonas vaginalis set domain proteins, putative 0.0256 0.8902 0.8862
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.4256 0.4228
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.015 0.4699 0.8898
Onchocerca volvulus 0.0081 0.1965 0.2166
Echinococcus multilocularis geminin 0.0164 0.5281 1
Schistosoma mansoni hypothetical protein 0.0035 0.0147 0.0191
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Chlamydia trachomatis peptide deformylase 0.0279 0.9814 0.5
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.1965 0.2515
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1103 0.2859

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 30 nM Inhibition of Escherichia coli nickel containing peptide deformylase ChEMBL. 21621999

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

1 literature reference was collected for this gene.

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