Detailed information for compound 1323516

Basic information

Technical information
  • TDR Targets ID: 1323516
  • Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxy phenyl)acetamide
  • MW: 250.317 | Formula: C12H14N2O2S
  • H donors: 1 H acceptors: 1 LogP: 1.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC(=O)NC1=NCCS1
  • InChi: 1S/C12H14N2O2S/c1-16-10-4-2-9(3-5-10)8-11(15)14-12-13-6-7-17-12/h2-5H,6-8H2,1H3,(H,13,14,15)
  • InChiKey: VEUNZUIMNSDPBW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4,5-dihydrothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
  • N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)ethanamide
  • MLS000570635
  • SMR000150472
  • ZINC03443080
  • T5302227

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 importin subunit beta 1 0.0031 0.0439 0.0373
Loa Loa (eye worm) hypothetical protein 0.007 0.1667 0.1667
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0439 0.3571
Echinococcus multilocularis geminin 0.0177 0.5013 0.4979
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1106 0.5807
Entamoeba histolytica fatty acid elongase, putative 0.0042 0.076 0.271
Trypanosoma brucei cytochrome P450, putative 0.0032 0.045 0.2136
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0178 0.0615
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.032 0.9532 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0178 0.0615
Echinococcus multilocularis neurogenic locus notch protein 0.0024 0.02 0.0133
Echinococcus granulosus expressed conserved protein 0.0095 0.2429 0.2377
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0476 0.0411
Trichomonas vaginalis STE family protein kinase 0.0076 0.1856 1
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.1106 0.1045
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0252 0.1029
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0178 0.0615
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0811 0.4156
Echinococcus granulosus pikachurin 0.0024 0.02 0.0133
Brugia malayi Cytochrome P450 family protein 0.0032 0.045 0.1183
Loa Loa (eye worm) hypothetical protein 0.0043 0.0811 0.0811
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0811 0.0748
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.045 0.2136
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0811 0.0748
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.1106 0.1045
Brugia malayi MH2 domain containing protein 0.0122 0.3295 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0178 0.0116
Loa Loa (eye worm) hypothetical protein 0.0024 0.02 0.02
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0409 0.1906
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1106 0.5807
Echinococcus multilocularis Niemann Pick C1 protein 0.0144 0.3982 0.394
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.032 0.9532 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1117 0.1117
Schistosoma mansoni hypothetical protein 0.007 0.1667 0.161
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0409 0.036
Brugia malayi laminin-like protein K08C7.3 precursor 0.0024 0.02 0.0408
Brugia malayi RNA, U transporter 1 0.0089 0.2261 0.6795
Echinococcus granulosus GPCR family 2 0.0033 0.0476 0.0411
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.045 0.0404
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.1106 0.5807
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.2621 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.267 0.262
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.045 0.045
Echinococcus granulosus geminin 0.0177 0.5013 0.4979
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0076 0.1856 1
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0024 0.02 0.0408
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0178 0.1059
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1106 0.5807
Schistosoma mansoni cell polarity protein 0.0024 0.02 0.0133
Trichomonas vaginalis ran, putative 0.0023 0.0178 0.0615
Echinococcus multilocularis GPCR, family 2 0.0033 0.0476 0.0411
Brugia malayi hypothetical protein 0.002 0.0069 0.0004
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0476 0.1265
Schistosoma mansoni laminin gamma-3 chain 0.0024 0.02 0.0133
Loa Loa (eye worm) hypothetical protein 0.0103 0.2692 0.2692
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0409 0.036
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.2692 0.2692
Schistosoma mansoni ran 0.0023 0.0178 0.0111
Brugia malayi EGF-like domain containing protein 0.0024 0.02 0.0408
Entamoeba histolytica fatty acid elongase, putative 0.0042 0.076 0.271
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.1129 0.1129
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0335 1 1
Entamoeba histolytica fatty acid elongase, putative 0.0042 0.076 0.271
Loa Loa (eye worm) CYP4Cod1 0.0032 0.045 0.045
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0476 0.0411
Schistosoma mansoni hypothetical protein 0.0335 1 1
Brugia malayi Importin beta-1 subunit 0.0031 0.0439 0.1149
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.1106 0.5807
Leishmania major importin beta-1 subunit, putative 0.0025 0.0252 0.1029
Loa Loa (eye worm) hypothetical protein 0.003 0.0409 0.0409
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0178 0.0178
Echinococcus multilocularis snurportin 1 0.0335 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0439 0.0439
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0476 0.0476
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.3295 0.3295
Brugia malayi Cytochrome P450 family protein 0.0032 0.045 0.1183
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.1106 0.5807
Loa Loa (eye worm) abnormal epIthelia family member 0.0024 0.02 0.02
Brugia malayi hypothetical protein 0.003 0.0409 0.1056
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0178 0.0111
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.1106 0.5807
Schistosoma mansoni hypothetical protein 0.0042 0.0762 0.0699
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0409 0.1906
Schistosoma mansoni hypothetical protein 0.0177 0.5013 0.4979
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.032 0.9532 1
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0076 0.1856 0.5541
Schistosoma mansoni hypothetical protein 0.0042 0.0762 0.0699
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1106 0.1045
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0033 0.0476 0.0411
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1106 0.5807
Schistosoma mansoni hypothetical protein 0.0033 0.0476 0.0411
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.2692 0.8132
Entamoeba histolytica fatty acid elongase, putative 0.0042 0.076 0.271
Plasmodium vivax importin-beta 2, putative 0.0031 0.0439 0.0392
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.2621 0.7911
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0476 0.0411
Brugia malayi laminin alpha chain 0.0024 0.02 0.0408
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0811 0.0748
Brugia malayi MAP kinase sur-1 0.0053 0.1106 0.3218
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0439 0.2074
Echinococcus multilocularis dual specificity mitogen activated protein 0.0076 0.1856 0.18
Schistosoma mansoni hypothetical protein 0.0042 0.0762 0.0699
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1667 0.4954
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0409 0.3281
Schistosoma mansoni hypothetical protein 0.0177 0.5013 0.4979
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0252 0.1029
Leishmania major cytochrome p450-like protein 0.0032 0.045 0.2136
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1106 0.5807
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0024 0.02 0.0133
Echinococcus multilocularis protein dispatched 1 0.0049 0.1003 0.0942
Echinococcus multilocularis expressed conserved protein 0.0095 0.2429 0.2377
Entamoeba histolytica Ran family GTPase 0.0023 0.0178 0.0431
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.2692 0.8132
Echinococcus granulosus importin subunit beta 1 0.0031 0.0439 0.0373
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.0076 0.1856 1
Trypanosoma brucei protein kinase, putative 0.0053 0.1106 0.5807
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.032 0.9532 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.02 0.02
Schistosoma mansoni slit 0.0024 0.02 0.0133
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.032 0.9532 1
Echinococcus multilocularis protein patched 0.0043 0.0811 0.0748
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0024 0.02 0.02
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0178 0.0341
Brugia malayi Cytochrome P450 family protein 0.0053 0.1129 0.3289
Schistosoma mansoni protein kinase 0.0076 0.1856 0.18
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.1106 0.5807
Echinococcus granulosus slit 2 protein 0.0024 0.02 0.0133
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.1106 0.1106
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1106 0.5807
Leishmania major hypothetical protein, conserved 0.003 0.0409 0.1906
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0476 0.1265
Leishmania major GTP-binding protein, putative 0.0023 0.0178 0.0615
Giardia lamblia Kinase, STE STE20 0.0076 0.1856 1
Echinococcus multilocularis slit 2 protein 0.0024 0.02 0.0133
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.032 0.9532 1
Echinococcus granulosus Niemann Pick C1 protein 0.0144 0.3982 0.394
Schistosoma mansoni importin beta-1 0.0031 0.0439 0.0373
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0178 0.0116
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0076 0.1856 0.1856
Echinococcus granulosus neurogenic locus notch protein 0.0024 0.02 0.0133
Schistosoma mansoni ran 0.0023 0.0178 0.0111
Brugia malayi CHE-14 protein 0.0043 0.0811 0.2303
Entamoeba histolytica hypothetical protein 0.0025 0.0252 0.072
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0068 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.1106 0.1045
Schistosoma mansoni patched 1 0.0043 0.0811 0.0748
Schistosoma mansoni hypothetical protein 0.0033 0.0476 0.0411
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.3295 0.3295
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.1106 0.5807
Schistosoma mansoni hypothetical protein 0.0033 0.0476 0.0411
Loa Loa (eye worm) hypothetical protein 0.0101 0.2621 0.2621
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.1106 0.1045
Chlamydia trachomatis oxoacyl-ACP synthase III 0.032 0.9532 0.5
Schistosoma mansoni hypothetical protein 0.0042 0.0762 0.0699
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.0076 0.1856 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0409 0.1906
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.2621 0.2571
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0439 0.2074
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.1106 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0178 0.0111
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.2621 0.2571
Echinococcus multilocularis pikachurin 0.0024 0.02 0.0133
Entamoeba histolytica fatty acid elongase, putative 0.0042 0.076 0.271
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0252 0.1029
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.032 0.9532 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0476 0.0476
Plasmodium falciparum importin beta, putative 0.0031 0.0439 0.0392
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0178 0.0615
Trichomonas vaginalis STE family protein kinase 0.0076 0.1856 1
Echinococcus granulosus dual specificity mitogen activated protein 0.0076 0.1856 0.18
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0409 0.036
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.045 0.045
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0252 0.1029
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0476 0.0411
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.045 0.2136
Trichomonas vaginalis STE family protein kinase 0.0076 0.1856 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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

Bibliographic References

No literature references available for this target.

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