Detailed information for compound 1389172

Basic information

Technical information
  • TDR Targets ID: 1389172
  • Name: 2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-y lmethyl)acetamide
  • MW: 314.425 | Formula: C16H14N2OS2
  • H donors: 1 H acceptors: 2 LogP: 3.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1csc(n1)c1ccccc1)NCc1cccs1
  • InChi: 1S/C16H14N2OS2/c19-15(17-10-14-7-4-8-20-14)9-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,19)
  • InChiKey: JMFROYTUTIQHQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-phenylthiazol-4-yl)-N-(2-thienylmethyl)acetamide
  • 2-(2-phenyl-4-thiazolyl)-N-(2-thienylmethyl)acetamide
  • 2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamide
  • MLS000772418
  • SMR000377170
  • ZINC03358190
  • STOCK6S-15101

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
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
Schistosoma mansoni glutaminase 0.033 0.2746 0.8702
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0668 0.0668
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0402 0.3456 0.3209
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0668 0.5
Brugia malayi hypothetical protein 0.015 0.0973 0.0973
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3156 0.3156
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.9134 1
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.117 0.2608
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0668 0.1489
Trypanosoma brucei C-8 sterol isomerase, putative 0.1067 1 1
Loa Loa (eye worm) hypothetical protein 0.015 0.0973 0.0973
Echinococcus granulosus lamin b receptor 0.0088 0.0364 0.0812
Loa Loa (eye worm) glutaminase 0.033 0.2746 0.2746
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.117 0.1281
Loa Loa (eye worm) glutaminase 2 0.033 0.2746 0.2746
Trypanosoma brucei lanosterol synthase 0.0142 0.0897 0.0553
Loa Loa (eye worm) hypothetical protein 0.0286 0.2308 0.2308
Trichomonas vaginalis glutaminase, putative 0.033 0.2746 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0686 0.2174
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0071 0.0071
Echinococcus multilocularis protein dispatched 1 0.0058 0.0071 0.0078
Schistosoma mansoni hypothetical protein 0.0205 0.1512 0.479
Loa Loa (eye worm) hypothetical protein 0.1067 1 1
Onchocerca volvulus 0.015 0.0973 0.2664
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0507 0.4486 0.4911
Schistosoma mansoni Lamin B receptor (ERG24) 0.0088 0.0364 0.1154
Leishmania major C-8 sterol isomerase-like protein 0.1067 1 1
Loa Loa (eye worm) hypothetical protein 0.0545 0.4866 0.4866
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1067 1 1
Onchocerca volvulus 0.0402 0.3456 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0071 0.0225
Loa Loa (eye worm) hypothetical protein 0.0062 0.0113 0.0113
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2308 0.2527
Trypanosoma cruzi lanosterol synthase, putative 0.0142 0.0897 0.0553
Trypanosoma brucei Emopamil binding protein, putative 0.0402 0.3456 0.3209
Echinococcus multilocularis expressed conserved protein 0.0112 0.0597 0.0654
Trypanosoma cruzi Emopamil binding protein, putative 0.0402 0.3456 0.3209
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0402 0.3456 0.3209
Leishmania major hypothetical protein, conserved 0.0402 0.3456 0.3209
Mycobacterium ulcerans glutaminase 0.033 0.2746 0.5
Brugia malayi RNA, U transporter 1 0.0099 0.0472 0.0472
Echinococcus granulosus expressed conserved protein 0.0112 0.0597 0.1331
Echinococcus multilocularis snurportin 1 0.0372 0.3156 0.3455
Schistosoma mansoni hypothetical protein 0.0205 0.1512 0.479
Brugia malayi glutaminase DH11.1 0.033 0.2746 0.2746
Echinococcus granulosus tm gpcr rhodopsin 0.0507 0.4486 1
Echinococcus multilocularis lamin b receptor 0.0088 0.0364 0.0399
Echinococcus granulosus geminin 0.0205 0.1512 0.337
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0668 0.0731
Schistosoma mansoni hypothetical protein 0.0058 0.0071 0.0225
Echinococcus multilocularis geminin 0.0205 0.1512 0.1655
Trypanosoma cruzi Emopamil binding protein, putative 0.0402 0.3456 0.3209
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2308 0.5145
Loa Loa (eye worm) hypothetical protein 0.0119 0.0668 0.0668
Schistosoma mansoni hypothetical protein 0.0372 0.3156 1
Trypanosoma cruzi lanosterol synthase, putative 0.0142 0.0897 0.0553
Echinococcus granulosus snurportin 1 0.0372 0.3156 0.7035
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0079 0.0273 0.5
Brugia malayi hypothetical protein 0.0286 0.2308 0.2308
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0402 0.3456 0.3209
Leishmania major lanosterol synthase, putative 0.0123 0.0706 0.0355

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) 10 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
Potency (functional) 14.7157 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) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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

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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