Detailed information for compound 338917

Basic information

Technical information
  • TDR Targets ID: 338917
  • Name: 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphen yl)pyridine-2,6-diamine
  • MW: 353.845 | Formula: C20H20ClN3O
  • H donors: 2 H acceptors: 1 LogP: 5.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1c1cc(Nc2ccc(cc2)C)nc(c1)N)Cl
  • InChi: 1S/C20H20ClN3O/c1-3-25-18-9-6-15(21)12-17(18)14-10-19(22)24-20(11-14)23-16-7-4-13(2)5-8-16/h4-12H,3H2,1-2H3,(H3,22,23,24)
  • InChiKey: XICKMYUDFYBMMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(5-chloro-2-ethoxy-phenyl)-N6-(p-tolyl)pyridine-2,6-diamine
  • 4-(5-chloro-2-ethoxyphenyl)-N6-(p-tolyl)pyridine-2,6-diamine
  • 4-(5-chloro-2-ethoxy-phenyl)-N6-(4-methylphenyl)pyridine-2,6-diamine
  • [6-amino-4-(5-chloro-2-ethoxy-phenyl)-2-pyridyl]-(p-tolyl)amine
  • 4-(5-chloro-2-ethoxyphenyl)-N'-(4-methylphenyl)pyridine-2,6-diamine
  • 4-(5-chloro-2-ethoxy-phenyl)-N'-(4-methylphenyl)pyridine-2,6-diamine
  • [6-amino-4-(5-chloro-2-ethoxy-phenyl)-2-pyridyl]-(4-methylphenyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 1-acylglycerol-3-phosphate O-acyltransferase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Brugia malayi Acyltransferase family protein Get druggable targets OG5_126904 All targets in OG5_126904
Babesia bovis acyltransferase family protein Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium yoelii 1-acyl-sn-glycerol-3-phosphate acyltransferase (ec 2.3.1.51) (1-agp acyltransferase) (1-agpat) (lysophosphatidic acid acyltransf Get druggable targets OG5_126904 All targets in OG5_126904
Cryptosporidium parvum glycerol-3-phosphate acyltransferase family, possible plant origin, possible signal peptide plus 2 transmembrane domains Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania mexicana 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative Get druggable targets OG5_126904 All targets in OG5_126904
Neospora caninum Lysophosphatidic acid acyltransferase, related Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium berghei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Treponema pallidum lysophosphatidic acid acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC Get druggable targets OG5_126904 All targets in OG5_126904
Candida albicans potential acyltransferase similar to S. cerevisiae SLC1 (YDL052C) 1-acylglycerol-3-phosphate O-acyltransferase involved in sphin Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus granulosus Msx-like Get druggable targets OG5_126904 All targets in OG5_126904
Loa Loa (eye worm) acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Schistosoma mansoni transcription factor Get druggable targets OG5_126904 All targets in OG5_126904
Toxoplasma gondii acyltransferase domain-containing protein Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium knowlesi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus multilocularis Phospholipid glycerol acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania donovani 1-acyl-sn-glycerol-3-phosphateacyltransferase-l ik eprotein, putative Get druggable targets OG5_126904 All targets in OG5_126904
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Schistosoma japonicum ko:K00655 1-acyl-sn-glycerol-3-phosphate acyltransferase [EC2.3.1.51], putative Get druggable targets OG5_126904 All targets in OG5_126904
Neospora caninum hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Candida albicans potential acyltransferase similar to S. cerevisiae SLC1 (YDL052C) 1-acylglycerol-3-phosphate O-acyltransferase involved in sphin Get druggable targets OG5_126904 All targets in OG5_126904
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus multilocularis homeobox Get druggable targets OG5_126904 All targets in OG5_126904
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Trypanosoma brucei gambiense 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus granulosus Phospholipid glycerol acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania infantum 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium tuberculosis Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI Get druggable targets OG5_126904 All targets in OG5_126904
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Toxoplasma gondii acyltransferase domain-containing protein Get druggable targets OG5_126904 All targets in OG5_126904
Trypanosoma congolense 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Theileria parva hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Chlamydia trachomatis glycerol-3-phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania braziliensis 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative Get druggable targets OG5_126904 All targets in OG5_126904
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
Echinococcus multilocularis tubulin, beta 4A class IVa 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Giardia lamblia Beta tubulin 0.003 1 1
Trypanosoma brucei beta tubulin 0.003 1 1
Echinococcus multilocularis homeobox 0.0017 0.3151 0.3151
Schistosoma mansoni tubulin subunit beta 0.003 1 1
Entamoeba histolytica tubulin family protein 0.003 1 1
Treponema pallidum lysophosphatidic acid acyltransferase 0.0018 0.3559 0.5
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0018 0.3559 0.3559
Echinococcus granulosus Tubulin beta 2C chain 0.003 1 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0018 0.3559 0.3559
Schistosoma mansoni transcription factor 0.0017 0.3151 0.3151
Schistosoma mansoni tubulin subunit beta 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Brugia malayi Acyltransferase family protein 0.0018 0.3559 0.3559
Giardia lamblia Beta tubulin 0.003 1 1
Echinococcus multilocularis tubulin subunit beta 0.003 1 1
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0018 0.3559 0.5
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0018 0.3559 0.3559
Toxoplasma gondii beta tubulin 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.003 1 1
Schistosoma mansoni tubulin subunit beta 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0018 0.3559 0.3559
Plasmodium vivax tubulin beta chain, putative 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.3151 0.3151
Leishmania major beta tubulin 0.003 1 1
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0018 0.3559 0.3559
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0018 0.3559 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.003 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.003 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.003 1 1
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0018 0.3559 0.3559
Leishmania major beta tubulin 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Toxoplasma gondii beta-tubulin, putative 0.003 1 1
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0018 0.3559 0.5
Leishmania major beta tubulin 0.003 1 1
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0018 0.3559 0.3559
Schistosoma mansoni tubulin subunit beta 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0018 0.3559 0.5
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0018 0.3559 1
Brugia malayi beta-tubulin, identical 0.003 1 1
Entamoeba histolytica tubulin family protein 0.003 1 1
Echinococcus granulosus beta tubulin 0.003 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.003 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.003 1 1
Trypanosoma brucei beta tubulin 0.003 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.003 1 1
Echinococcus multilocularis beta tubulin 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.3559 0.3559
Leishmania major beta tubulin 0.003 1 1
Loa Loa (eye worm) acyltransferase 0.0018 0.3559 0.3559
Schistosoma mansoni tubulin subunit beta 0.003 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.003 1 1
Loa Loa (eye worm) beta-tubulin 0.003 1 1
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0018 0.3559 0.3559
Echinococcus multilocularis Tubulin beta 2C chain 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.3559 0.3559
Echinococcus granulosus tubulin beta 1 chain 0.003 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Plasmodium falciparum tubulin beta chain 0.003 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.003 1 1
Trypanosoma cruzi beta tubulin, putative 0.003 1 1
Loa Loa (eye worm) tubulin beta chain 0.003 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.003 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.003 1 1
Echinococcus granulosus Msx-like 0.0017 0.3151 0.3151
Trichomonas vaginalis tubulin, putative 0.003 1 1
Giardia lamblia Beta tubulin 0.003 1 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0018 0.3559 0.3559
Leishmania major beta tubulin 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Loa Loa (eye worm) BEN-1 protein 0.003 1 1
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0018 0.3559 0.3559
Toxoplasma gondii beta-1 tubulin, putative 0.003 1 1
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0018 0.3559 0.3559
Schistosoma mansoni tubulin subunit beta 0.003 1 1
Echinococcus multilocularis beta tubulin 0.003 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.003 1 1
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0018 0.3559 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.003 1 1
Loa Loa (eye worm) BEN-1 protein 0.003 1 1
Trypanosoma brucei beta tubulin 0.003 1 1
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0018 0.3559 0.3559
Echinococcus granulosus beta tubulin 0.003 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.003 1 1
Echinococcus granulosus tubulin subunit beta 0.003 1 1
Leishmania major beta tubulin 0.003 1 1
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0018 0.3559 0.3559
Trypanosoma brucei beta tubulin 0.003 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.003 1 1
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0018 0.3559 0.3559

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.49 uM Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme overexpressed in Sf9 insect cell membrane ChEMBL. 16143520
IC50 (binding) = 0.49 uM Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme overexpressed in Sf9 insect cell membrane ChEMBL. 16143520

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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