Detailed information for compound 1628756

Basic information

Technical information
  • TDR Targets ID: 1628756
  • Name: 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3- thiazol-2-yl]amino]phenyl]ethanone
  • MW: 329.44 | Formula: C16H15N3OS2
  • H donors: 1 H acceptors: 3 LogP: 4.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(c(s1)c1csc(n1)Nc1ccc(cc1)C(=O)C)C
  • InChi: 1S/C16H15N3OS2/c1-9-15(22-11(3)17-9)14-8-21-16(19-14)18-13-6-4-12(5-7-13)10(2)20/h4-8H,1-3H3,(H,18,19)
  • InChiKey: FTZINVFVENCLEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-[[4-(2,4-dimethylthiazol-5-yl)thiazol-2-yl]amino]phenyl]ethanone
  • 1-[4-[[4-(2,4-dimethyl-5-thiazolyl)-2-thiazolyl]amino]phenyl]ethanone
  • A3432/0145641
  • ZINC00613344
  • 1-[4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-phenyl]-ethanone
  • BAS 08770527

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis serine:threonine protein kinase N2 0.0076 0.262 0.3983
Echinococcus granulosus protein kinase c iota type 0.0076 0.262 0.3983
Brugia malayi hypothetical protein 0.003 0.0522 0.0522
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.262 0.3983
Echinococcus multilocularis rac serine:threonine kinase 0.0162 0.6578 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1891 0.1891
Leishmania major hypothetical protein, conserved 0.003 0.0522 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0148 0.5907 0.8979
Echinococcus granulosus nervana 2 0.0146 0.5831 0.8865
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1015 0.1015
Entamoeba histolytica PH domain containing protein kinase, putative 0.0162 0.6578 0.5363
Loa Loa (eye worm) RNA binding protein 0.0076 0.264 0.264
Echinococcus granulosus nervana 2 0.0146 0.5831 0.8865
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0076 0.262 0.262
Brugia malayi hypothetical protein 0.002 0.0026 0.0026
Entamoeba histolytica protein kinase, putative 0.0237 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1891 0.1891
Echinococcus granulosus NDR protein kinase 0.0076 0.262 0.3983
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.262 0.3983
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0146 0.5831 0.8865
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0522 0.0884
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0522 0.0522
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0076 0.262 0.3983
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0146 0.5831 0.8865
Brugia malayi TAR-binding protein 0.0076 0.264 0.264
Trichomonas vaginalis AGC family protein kinase 0.0237 1 1
Entamoeba histolytica protein kinase, putative 0.0237 1 1
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0076 0.262 0.3983
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0148 0.5907 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0076 0.262 0.3983
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0522 0.056
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.262 0.3983
Loa Loa (eye worm) hypothetical protein 0.006 0.1891 0.1891
Trichomonas vaginalis AGC family protein kinase 0.0091 0.3292 0.1002
Trichomonas vaginalis AGC family protein kinase 0.0076 0.262 0.0101
Echinococcus granulosus serine threonine protein kinase nrc 0.0148 0.5907 0.8979
Echinococcus granulosus protein kinase c epsilon type 0.0076 0.262 0.3983
Schistosoma mansoni tar DNA-binding protein 0.0076 0.264 0.4013
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.262 0.3983
Schistosoma mansoni atypical protein kinase C 0.0076 0.262 0.3983
Loa Loa (eye worm) AGC/PKN protein kinase 0.0076 0.262 0.262
Echinococcus multilocularis serine:threonine protein kinase 38 0.0076 0.262 0.3983
Echinococcus granulosus serine:threonine protein kinase N2 0.0076 0.262 0.3983
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0076 0.262 0.3983
Trichomonas vaginalis AGC family protein kinase 0.0076 0.262 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0076 0.264 0.4013
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0522 0.0884
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0076 0.262 0.262
Echinococcus granulosus Protein kinase C brain isozyme 0.0076 0.262 0.3983
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0522 0.0794
Trichomonas vaginalis AGC family protein kinase 0.0237 1 1
Entamoeba histolytica protein kinase 2, putative 0.0148 0.5907 0.4453
Echinococcus multilocularis tar DNA binding protein 0.0076 0.264 0.4013
Giardia lamblia Kinase, AGC PKA 0.0148 0.5907 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0076 0.262 0.0101
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0076 0.262 0.3983
Loa Loa (eye worm) hypothetical protein 0.0076 0.262 0.262
Brugia malayi Hr1 repeat family protein 0.0076 0.262 0.262
Brugia malayi RNA binding protein 0.0076 0.264 0.264
Echinococcus granulosus serine/threonine protein kinase 0.0162 0.6578 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.264 0.264
Trypanosoma cruzi Protein kinase B 0.0162 0.6578 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.7513 0.7513
Echinococcus multilocularis Glutaredoxin protein 5 0.0146 0.5831 0.8865
Loa Loa (eye worm) AGC/AKT protein kinase 0.0237 1 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0222 0.9329 0.9329
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0148 0.5907 1
Echinococcus multilocularis nervana 2 0.0146 0.5831 0.8865
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0522 0.0794
Brugia malayi Protein kinase domain containing protein 0.0076 0.262 0.262
Schistosoma mansoni tar DNA-binding protein 0.0076 0.264 0.4013
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.262 0.3983
Trichomonas vaginalis AGC family protein kinase 0.0237 1 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0237 1 1
Echinococcus granulosus Glutaredoxin protein 5 0.0146 0.5831 0.8865
Loa Loa (eye worm) TAR-binding protein 0.0076 0.264 0.264
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.262 0.3983
Schistosoma mansoni tar DNA-binding protein 0.0076 0.264 0.4013
Schistosoma mansoni hypothetical protein 0.0041 0.1015 0.1543
Loa Loa (eye worm) AGC/NDR protein kinase 0.0076 0.262 0.262
Entamoeba histolytica protein kinase, putative 0.0222 0.9329 0.909
Onchocerca volvulus 0.0182 0.7513 0.5
Schistosoma mansoni serine/threonine-protein kinase 0.0162 0.6578 1
Brugia malayi Protein kinase domain containing protein 0.0076 0.262 0.262
Echinococcus multilocularis nervana 2 0.0146 0.5831 0.8865
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0522 0.0884
Echinococcus multilocularis protein kinase c epsilon type 0.0076 0.262 0.3983
Echinococcus multilocularis protein kinase c iota type 0.0076 0.262 0.3983
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.262 0.3983
Trichomonas vaginalis AGC family protein kinase 0.0237 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.264 0.4013
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0076 0.262 0.3983
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0076 0.262 0.262
Toxoplasma gondii AGC kinase 0.0222 0.9329 1
Trichomonas vaginalis AGC family protein kinase 0.0237 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.264 0.264
Entamoeba histolytica PH domain containing protein kinase, putative 0.0162 0.6578 0.5363
Loa Loa (eye worm) hypothetical protein 0.0041 0.1015 0.1015
Schistosoma mansoni serine/threonine kinase 0.0076 0.262 0.3983
Trichomonas vaginalis AGC family protein kinase 0.0237 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0148 0.5907 0.8979
Trichomonas vaginalis AGC family protein kinase 0.0237 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0162 0.6578 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0076 0.262 0.262
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0162 0.6578 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0076 0.262 0.3983
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0148 0.5907 0.8979
Brugia malayi protein kinase C II. 0.0076 0.262 0.262
Brugia malayi hypothetical protein 0.0182 0.7513 0.7513
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1891 0.1891
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0222 0.9329 0.9329
Echinococcus multilocularis serine:threonine protein kinase N2 0.0076 0.262 0.3983
Schistosoma mansoni tar DNA-binding protein 0.0076 0.264 0.4013
Loa Loa (eye worm) hypothetical protein 0.003 0.0522 0.0522
Echinococcus granulosus protein kinase C gamma type 0.0076 0.262 0.3983
Echinococcus multilocularis serine threonine protein kinase 0.0076 0.262 0.3983

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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