Detailed information for compound 502401

Basic information

Technical information
  • TDR Targets ID: 502401
  • Name: 2-(benzylamino)-N-[2-(naphthalen-2-ylmethylam ino)ethyl]-1,3-benzothiazole-6-carboxamide
  • MW: 466.597 | Formula: C28H26N4OS
  • H donors: 3 H acceptors: 2 LogP: 5.78 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)sc(n2)NCc1ccccc1)NCCNCc1ccc2c(c1)cccc2
  • InChi: 1S/C28H26N4OS/c33-27(30-15-14-29-18-21-10-11-22-8-4-5-9-23(22)16-21)24-12-13-25-26(17-24)34-28(32-25)31-19-20-6-2-1-3-7-20/h1-13,16-17,29H,14-15,18-19H2,(H,30,33)(H,31,32)
  • InChiKey: LJVISOICAADKIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(benzylamino)-N-[2-(2-naphthylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide
  • 2-(benzylamino)-N-[2-(2-naphthalenylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide
  • N-[2-(naphthalen-2-ylmethylamino)ethyl]-2-(phenylmethylamino)-1,3-benzothiazole-6-carboxamide
  • N-[2-(2-naphthylmethylamino)ethyl]-2-(phenylmethylamino)-1,3-benzothiazole-6-carboxamide
  • 6-Benzothiazolecarboxamide, N-[2-[(2-naphthalenylmethyl)amino]ethyl]-2-[(phenylmethyl)amino]-
  • AIDS-227206
  • AIDS227206

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
Trypanosoma cruzi 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
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
Schistosoma mansoni N-myristoyltransferase 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
Trypanosoma brucei 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
Cryptosporidium hominis N-myristoyltransferase 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
Leishmania braziliensis N-myristoyl transferase, 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
Leishmania infantum N-myristoyltransferase 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
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
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 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
Cryptosporidium parvum 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
Leishmania donovani N-myristoyltransferase 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
Theileria parva N-myristoyltransferase, 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
Leishmania major 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
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
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
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
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0089 0.0017
Loa Loa (eye worm) hypothetical protein 0.0147 0.1958 0.6525
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0216 0.3001 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0679 0.2261
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0679 0.2261
Schistosoma mansoni hypothetical protein 0.0174 0.2373 0.2182
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0084 0.0281
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0973 0.0316
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 0.0575
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0084 0.0544
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0679 0.0446
Echinococcus granulosus muscleblind protein 0.0147 0.1958 0.1373
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0297
Echinococcus multilocularis geminin 0.0174 0.2373 0.1817
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0973 0.0748
Loa Loa (eye worm) hypothetical protein 0.0147 0.1958 0.6525
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0478 0.1593
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0973 0.0316
Schistosoma mansoni microtubule-associated protein tau 0.0679 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0297
Giardia lamblia CDC72 0.0216 0.3001 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0089 0.0575
Mycobacterium ulcerans hypothetical protein 0.0023 0.0089 0.0575
Loa Loa (eye worm) hypothetical protein 0.0049 0.0478 0.1593
Loa Loa (eye worm) hypothetical protein 0.0082 0.0973 0.3242
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0084 0.5
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0216 0.3001 0.2492
Trypanosoma brucei N-myristoyltransferase 0.0216 0.3001 1
Brugia malayi Muscleblind-like protein 0.0147 0.1958 0.6418
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0089 0.0017
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.012 0.1551 0.0936
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0089 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0243 0.053
Toxoplasma gondii aldehyde dehydrogenase 0.012 0.1551 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0089 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0089 0.0575
Leishmania major N-myristoyl transferase, putative 0.0216 0.3001 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.012 0.1551 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0089 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 0.0575
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0478 0.1335
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0973 0.3035
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0089 0.0575
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1551 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0089 0.0017
Trypanosoma cruzi N-myristoyl transferase, putative 0.0216 0.3001 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1551 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0679 0.2261
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0089 0.0575
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0216 0.3001 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1551 1
Echinococcus multilocularis muscleblind protein 1 0.0147 0.1958 0.1373
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0084 0.0281
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0084 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0679 0.0446
Loa Loa (eye worm) hypothetical protein 0.0034 0.0243 0.0811
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0089 0.0575
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.1551 0.134
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0084 0.0544
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0084 0.0544
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0478 0.1335
Trypanosoma brucei N-myristoyl transferase, putative 0.0216 0.3001 1
Echinococcus multilocularis microtubule associated protein 2 0.0679 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0089 0.0017
Trypanosoma cruzi N-myristoyl transferase, putative 0.0216 0.3001 0.5
Schistosoma mansoni N-myristoyltransferase 0.0216 0.3001 0.2827
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.1551 0.134
Brugia malayi TAR-binding protein 0.0062 0.0679 0.2024
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0216 0.3001 0.2492
Loa Loa (eye worm) N-myristoyltransferase 2 0.0216 0.3001 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0679 0.0446
Brugia malayi RNA binding protein 0.0062 0.0679 0.2024
Brugia malayi N-myristoyltransferase 2 0.0216 0.3001 1
Echinococcus multilocularis muscleblind protein 0.0147 0.1958 0.1373
Trichomonas vaginalis N-myristoyl transferase, putative 0.0216 0.3001 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0679 0.0446
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0089 0.0575
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0679 0.2024
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.012 0.1551 0.5029
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0089 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0679 0.0446
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0084 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 0.0575
Schistosoma mansoni hypothetical protein 0.0174 0.2373 0.2182
Onchocerca volvulus 0.0082 0.0973 1
Echinococcus granulosus geminin 0.0174 0.2373 0.1817
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0297
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0216 0.3001 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.012 0.1551 0.0936

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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