Detailed information for compound 1344577

Basic information

Technical information
  • TDR Targets ID: 1344577
  • Name: N-(3-morpholin-4-ylpropyl)-2-(phenylmethylsul fanyl)acetamide
  • MW: 308.439 | Formula: C16H24N2O2S
  • H donors: 1 H acceptors: 1 LogP: 1.74 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCCCN1CCOCC1)CSCc1ccccc1
  • InChi: 1S/C16H24N2O2S/c19-16(14-21-13-15-5-2-1-3-6-15)17-7-4-8-18-9-11-20-12-10-18/h1-3,5-6H,4,7-14H2,(H,17,19)
  • InChiKey: DRZUHQTUBUGFER-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-morpholinopropyl)-2-(phenylmethylsulfanyl)acetamide
  • N-(3-morpholinopropyl)-2-(phenylmethylthio)acetamide
  • 2-(benzylthio)-N-(3-morpholinopropyl)acetamide
  • N-(3-morpholin-4-ylpropyl)-2-(phenylmethylsulfanyl)ethanamide
  • 2-(benzylthio)-N-[3-(4-morpholinyl)propyl]acetamide
  • MLS000674160
  • SMR000297056

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis CMGC family protein kinase 0.0062 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 1 0.5
Onchocerca volvulus 0.0029 0.4328 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0533 0.0516
Schistosoma mansoni cpg binding protein 0.003 0.4608 0.4608
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 1 1
Echinococcus multilocularis cpg binding protein 0.003 0.4608 0.4239
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0939 0.032
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.5568 0.5265
Entamoeba histolytica hypothetical protein 0.0036 0.5568 1
Trypanosoma brucei protein kinase, putative 0.0062 1 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0533 0.0516
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0533 0.0516
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0533 0.0516
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.5568 0.5265
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0533 0.0516
Entamoeba histolytica hypothetical protein 0.0036 0.5568 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0939 0.032
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.064 0.064
Trichomonas vaginalis CMGC family protein kinase 0.0062 1 1
Schistosoma mansoni cpg binding protein 0.0029 0.4328 0.4328
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 1 0.5
Brugia malayi CXXC zinc finger family protein 0.0029 0.4328 0.3754
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 1 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0125 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0533 0.0516
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0533 0.0516
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0533 0.0516
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.4328 0.374
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.5568 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0533 0.0516
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0533 0.0516
Entamoeba histolytica hypothetical protein 0.0036 0.5568 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.983 0.983
Echinococcus granulosus mitogen activated protein kinase 0.0062 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0533 0.0516
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.5568 0.5568
Echinococcus multilocularis mitogen activated protein kinase 0.0062 1 1
Schistosoma mansoni hypothetical protein 0.0036 0.5568 0.5568
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0062 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0533 0.0516
Trichomonas vaginalis CMGC family protein kinase 0.0062 1 1
Trichomonas vaginalis helicase, putative 0.0006 0.0533 0.0516
Trichomonas vaginalis CMGC family protein kinase 0.0062 1 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0533 0.0516
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0533 0.0516
Schistosoma mansoni cpg binding protein 0.003 0.4608 0.4608
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0533 0.0516
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0533 0.0516
Giardia lamblia Kinase, CMGC MAPK 0.0062 1 0.5
Brugia malayi hypothetical protein 0.0036 0.5568 0.512
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0533 0.0516
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 1 0.5
Plasmodium falciparum zinc finger protein, putative 0.0003 0 0.5
Echinococcus granulosus cpg binding protein 0.003 0.4608 0.4239

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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