Detailed information for compound 502404

Basic information

Technical information
  • TDR Targets ID: 502404
  • Name: tert-butyl N-[6-[2-(naphthalen-2-ylmethylamin o)ethylcarbamoyl]-1,3-benzothiazol-2-yl]carba mate
  • MW: 476.591 | Formula: C26H28N4O3S
  • H donors: 3 H acceptors: 3 LogP: 4.87 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OC(C)(C)C)Nc1nc2c(s1)cc(cc2)C(=O)NCCNCc1ccc2c(c1)cccc2
  • InChi: 1S/C26H28N4O3S/c1-26(2,3)33-25(32)30-24-29-21-11-10-20(15-22(21)34-24)23(31)28-13-12-27-16-17-8-9-18-6-4-5-7-19(18)14-17/h4-11,14-15,27H,12-13,16H2,1-3H3,(H,28,31)(H,29,30,32)
  • InChiKey: QLOJZEYLYJIJQM-UHFFFAOYSA-N  

Network

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Synonyms

  • tert-butyl N-[6-[2-(2-naphthylmethylamino)ethylcarbamoyl]-1,3-benzothiazol-2-yl]carbamate
  • N-[6-[[2-(2-naphthalenylmethylamino)ethylamino]-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester
  • N-[6-[2-(2-naphthylmethylamino)ethylcarbamoyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester
  • N-[6-[[2-(2-naphthylmethylamino)ethylamino]-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester
  • AIDS227209
  • Carbamic acid, [6-[[[2-[(2-naphthalenylmethyl)amino]ethyl]amino]carbonyl]-2-benzothiazolyl]-, 1,1-dimethylethyl ester
  • AIDS-227209

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Candida albicans myristoyl-CoA:protein N-myristoyltransferase that is capable of functional substitution for S. cerevisiae NMT1 (YLR195C) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, 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
Leishmania infantum N-myristoyltransferase 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
Loa Loa (eye worm) N-myristoyltransferase 2 Get druggable targets OG5_127597 All targets in OG5_127597
Cryptosporidium hominis N-myristoyltransferase 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
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
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
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
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 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 knowlesi glycylpeptide N-tetradecanoyltransferase, 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
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
Plasmodium berghei glycylpeptide N-tetradecanoyltransferase, putative 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
Neospora caninum hypothetical 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
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
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
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.1685 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.1521 0.064
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.1685 0.085
Loa Loa (eye worm) N-myristoyltransferase 2 0.0216 0.8783 0.8783
Brugia malayi N-myristoyltransferase 2 0.0216 0.8783 0.8783
Giardia lamblia CDC72 0.0216 0.8783 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.1685 0.085
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1025 0.1025
Trypanosoma cruzi N-myristoyl transferase, putative 0.0216 0.8783 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.1685 0.0193
Leishmania major N-myristoyl transferase, putative 0.0216 0.8783 1
Schistosoma mansoni N-myristoyltransferase 0.0216 0.8783 1
Onchocerca volvulus 0.0049 0.1025 0.5
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0216 0.8783 0.5
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0216 0.8783 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0242 1 1
Trichomonas vaginalis N-myristoyl transferase, putative 0.0216 0.8783 1
Trypanosoma brucei N-myristoyl transferase, putative 0.0216 0.8783 0.5
Trypanosoma brucei N-myristoyltransferase 0.0216 0.8783 0.5
Trypanosoma cruzi N-myristoyl transferase, putative 0.0216 0.8783 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.1521 0.1521
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0216 0.8783 0.5
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0216 0.8783 0.8565
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.1685 1
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0216 0.8783 0.8565
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.1685 1
Echinococcus multilocularis survival motor neuron protein 1 0.0242 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1333 0.1333
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.1685 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.1685 0.0193
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.1685 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.1685 0.0225
Loa Loa (eye worm) hypothetical protein 0.0242 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of Candida albicans N-myristoyltransferse ChEMBL. 17349719
IC50 (binding) > 10 uM Inhibition of Candida albicans N-myristoyltransferse ChEMBL. 17349719
Log IC50 (binding) = -1 uM Inhibition of Candida albicans N-myristoyltransferse ChEMBL. 17349719
Log IC50 (binding) = -1 uM Inhibition of Candida albicans N-myristoyltransferse ChEMBL. 17349719

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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