Detailed information for compound 217205

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 566.799 | Formula: C28H50N6O4S
  • H donors: 6 H acceptors: 5 LogP: 4.16 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC1CCCCC1)Cc1csc(n1)N)CO
  • InChi: 1S/C28H50N6O4S/c29-16-11-6-4-2-1-3-5-10-14-25(36)33-24(19-35)27(38)34-23(18-22-20-39-28(30)32-22)26(37)31-17-15-21-12-8-7-9-13-21/h20-21,23-24,35H,1-19,29H2,(H2,30,32)(H,31,37)(H,33,36)(H,34,38)/t23-,24-/m0/s1
  • InChiKey: ALJALQDMLOAVOJ-ZEQRLZLVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens N-myristoyltransferase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi N-myristoyltransferase 2 Get druggable targets OG5_127597 All targets in OG5_127597
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Candida albicans myristoyl-CoA:protein N-myristoyltransferase that is capable of functional substitution for S. cerevisiae NMT1 (YLR195C) Get druggable targets OG5_127597 All targets in OG5_127597
Cryptosporidium parvum N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Loa Loa (eye worm) N-myristoyltransferase 2 Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma brucei gambiense N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania mexicana N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania infantum N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania braziliensis N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Schistosoma japonicum ko:K00671 glycylpeptide N-tetradecanoyltransferase [EC2.3.1.97], putative Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Cryptosporidium hominis N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Schistosoma mansoni N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Candida albicans myristoyl-CoA:protein N-myristoyltransferase that is capable of functional substitution for S. cerevisiae NMT1 (YLR195C) Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium yoelii N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma brucei N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Babesia bovis myristoyl-CoA:protein N-myristoyltransferase, N-terminal domain containing protein Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma cruzi N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma congolense N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium knowlesi glycylpeptide N-tetradecanoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium berghei glycylpeptide N-tetradecanoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Giardia lamblia CDC72 Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma brucei N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Trichomonas vaginalis N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania major N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma cruzi N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Neospora caninum hypothetical protein Get druggable targets OG5_127597 All targets in OG5_127597
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Theileria parva N-myristoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania donovani N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
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
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.0347 0.0302
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0193 0.8618 0.878
Echinococcus granulosus histone acetyltransferase KAT2B 0.004 0.0666 0.0679
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0216 0.9809 1
Trypanosoma cruzi N-myristoyl transferase, putative 0.0216 0.9809 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.004 0.0666 0.0629
Brugia malayi hypothetical protein 0.0033 0.0347 0.0302
Trypanosoma cruzi N-myristoyl transferase, putative 0.0216 0.9809 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.0347 0.0302
Brugia malayi acetyltransferase, GNAT family protein 0.0134 0.5583 0.5668
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.0347 0.0354
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0216 0.9809 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.004 0.0666 1
Brugia malayi Pre-SET motif family protein 0.0193 0.8618 0.878
Loa Loa (eye worm) N-myristoyltransferase 2 0.0216 0.9809 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0134 0.5583 0.5668
Trypanosoma brucei N-myristoyl transferase, putative 0.0216 0.9809 0.5
Trichomonas vaginalis N-myristoyl transferase, putative 0.0142 0.5971 0.5683
Schistosoma mansoni hypothetical protein 0.0033 0.0347 0.0302
Trichomonas vaginalis set domain proteins, putative 0.022 1 1
Schistosoma mansoni N-myristoyltransferase 0.0216 0.9809 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0028 0.0053 0.0054
Echinococcus granulosus histone acetyltransferase KAT2B 0.0131 0.5387 0.5492
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.004 0.0666 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0134 0.5583 0.5668
Loa Loa (eye worm) acetyltransferase 0.0134 0.5583 0.5668
Giardia lamblia CDC72 0.0216 0.9809 1
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0216 0.9809 1
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0216 0.9809 1
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0216 0.9809 1
Leishmania major N-myristoyl transferase, putative 0.0216 0.9809 0.5
Brugia malayi N-myristoyltransferase 2 0.0216 0.9809 1
Trichomonas vaginalis N-myristoyl transferase, putative 0.0216 0.9809 0.9795
Trypanosoma brucei N-myristoyltransferase 0.0216 0.9809 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0036 0.0496 0.0157

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 uM Inhibition of Candida albicans N-myristoyltransferase (NMT) with peptide GNAASARR-NH2 and [3H]-myristoyl-CoA at 1 uM ChEMBL. No reference
IC50 (binding) = 10 uM Inhibition of Candida albicans N-myristoyltransferase (NMT) with peptide GNAASARR-NH2 and [3H]-myristoyl-CoA at 1 uM ChEMBL. No reference
IC50 (binding) = 52 uM Tested for Inhibitory concentration against human N-myristoyltransferase (NMT) in radiochemical HPLC end point assay with peptide GNAASARR-NH2 and [3H]-myristoyl-CoA radioligand at 1 uM ChEMBL. No reference
IC50 (binding) = 52 uM Tested for Inhibitory concentration against human N-myristoyltransferase (NMT) in radiochemical HPLC end point assay with peptide GNAASARR-NH2 and [3H]-myristoyl-CoA radioligand at 1 uM ChEMBL. No reference
Ratio (binding) = 5 Selectivity ratio of the IC50 against human NMT to the IC50 against C. albicans NMT was determined ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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