Detailed information for compound 1452025

Basic information

Technical information
  • TDR Targets ID: 1452025
  • Name: N-(3,5-dimethoxyphenyl)-2-(2-imino-1,3-thiazo l-3-yl)acetamide hydrochloride
  • MW: 329.802 | Formula: C13H16ClN3O3S
  • H donors: 1 H acceptors: 1 LogP: 2.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=O)Cn2ccsc2=N)cc(c1)OC.Cl
  • InChi: 1S/C13H15N3O3S.ClH/c1-18-10-5-9(6-11(7-10)19-2)15-12(17)8-16-3-4-20-13(16)14;/h3-7,14H,8H2,1-2H3,(H,15,17);1H
  • InChiKey: WTNHWDXMPOHCBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,5-dimethoxyphenyl)-2-(2-iminothiazol-3-yl)acetamide hydrochloride
  • N-(3,5-dimethoxyphenyl)-2-(2-imino-3-thiazolyl)acetamide hydrochloride
  • N-(3,5-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanamide hydrochloride
  • MLS001006562
  • SMR000349507
  • T5220465

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0016 0.0028 0.5
Leishmania major peptidylprolyl isomerase-like protein 0.0116 0.3934 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0116 0.3934 0.3934
Loa Loa (eye worm) hypothetical protein 0.0031 0.0638 0.0638
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0638 0.0612
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0116 0.3934 1
Echinococcus multilocularis 0.0016 0.0028 0.0071
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0638 0.0638
Loa Loa (eye worm) follicle stimulating hormone receptor 0.027 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.3311 0.3311
Loa Loa (eye worm) hypothetical protein 0.0031 0.0616 0.0616
Schistosoma mansoni lamin 0.0031 0.0638 0.1562
Echinococcus multilocularis fk506 binding protein 0.0116 0.3934 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0638 0.1562
Schistosoma mansoni immunophilin 0.0116 0.3934 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.01 0.3311 0.8416
Brugia malayi intermediate filament protein 0.0031 0.0638 0.0612
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0116 0.3934 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0016 0.0028 0.5
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0016 0.0028 0.0071
Onchocerca volvulus 0.0031 0.0638 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0016 0.0028 0.0028
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0016 0.0028 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0028 0.0028
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0016 0.0028 0.5
Echinococcus granulosus lamin 0.0031 0.0638 0.1622
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0116 0.3934 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0116 0.3934 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0116 0.3934 0.3917
Schistosoma mansoni lamin 0.0031 0.0638 0.1562
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0016 0.0028 0.5
Echinococcus granulosus intermediate filament protein 0.0031 0.0638 0.1622
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0016 0.0028 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.3934 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.3934 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0116 0.3934 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0116 0.3934 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.01 0.3311 0.8416
Schistosoma mansoni immunophilin 0.01 0.3311 0.8404
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0116 0.3934 1
Onchocerca volvulus 0.0031 0.0638 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0016 0.0028 0.5
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0016 0.0028 0.5
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0116 0.3934 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0116 0.3934 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0638 0.0638
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0016 0.0028 0.0028
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0016 0.0028 0.0028
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0016 0.0028 0.5
Trichomonas vaginalis immunophilin, putative 0.0116 0.3934 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0116 0.3934 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0116 0.3934 1
Echinococcus multilocularis lamin 0.0031 0.0638 0.1622
Loa Loa (eye worm) FKBP5 protein 0.0116 0.3934 0.3934
Echinococcus multilocularis musashi 0.0031 0.0638 0.1622
Echinococcus granulosus lamin dm0 0.0031 0.0638 0.1622
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0066 0.0038
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0116 0.3934 1
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0016 0.0028 0.0071
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0116 0.3934 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0116 0.3934 1
Schistosoma mansoni immunophilin 0.0116 0.3934 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0116 0.3934 0.3917
Trichomonas vaginalis fk506-binding protein, putative 0.0116 0.3934 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.3934 1
Leishmania major fk506-binding protein 1-like protein 0.0116 0.3934 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0066 0.0066
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0116 0.3934 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0116 0.3934 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0116 0.3934 1
Echinococcus multilocularis lamin dm0 0.0031 0.0638 0.1622
Echinococcus granulosus FK506 binding protein 2 0.0016 0.0028 0.0071

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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