Detailed information for compound 1423156

Basic information

Technical information
  • TDR Targets ID: 1423156
  • Name: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(3- fluorophenyl)-7,7-dimethyl-6,8-dihydroquinoli ne-2,5-dione
  • MW: 478.966 | Formula: C26H20ClFN2O2S
  • H donors: 0 H acceptors: 3 LogP: 5.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1csc(n1)c1cc2C(=O)CC(Cc2n(c1=O)c1cccc(c1)F)(C)C
  • InChi: 1S/C26H20ClFN2O2S/c1-26(2)12-22-19(23(31)13-26)11-20(25(32)30(22)18-5-3-4-17(28)10-18)24-29-21(14-33-24)15-6-8-16(27)9-7-15/h3-11,14H,12-13H2,1-2H3
  • InChiKey: BGNURJIIXBUFOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[4-(4-chlorophenyl)thiazol-2-yl]-1-(3-fluorophenyl)-7,7-dimethyl-6,8-dihydroquinoline-2,5-dione
  • 3-[4-(4-chlorophenyl)-2-thiazolyl]-1-(3-fluorophenyl)-7,7-dimethyl-6,8-dihydroquinoline-2,5-dione
  • 3-[4-(4-chlorophenyl)thiazol-2-yl]-1-(3-fluorophenyl)-7,7-dimethyl-6,8-dihydroquinoline-2,5-quinone
  • C202-3148
  • NCGC00105410-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trypanosoma congolense isocitrate dehydrogenase, putative 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
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 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
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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 thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase 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
Trypanosoma brucei isocitrate dehydrogenase, putative 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
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva isocitrate dehydrogenase (NADP+), 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative 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
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0175 0.2695 0.2695
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.2866 0.2866
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.03 0.026
Schistosoma mansoni hypothetical protein 0.0067 0.0681 0.0681
Trichomonas vaginalis glutaminase, putative 0.0563 1 1
Echinococcus granulosus tumor protein p63 0.0408 0.7087 1
Onchocerca volvulus 0.0149 0.2215 1
Schistosoma mansoni chromobox protein 0.0084 0.0995 0.0995
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.2866 0.4045
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.2866 0.4045
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0184 0.2866 0.2866
Loa Loa (eye worm) hypothetical protein 0.006 0.0536 0.0536
Brugia malayi RNA binding protein 0.0192 0.3018 0.3018
Echinococcus multilocularis chromobox protein 1 0.0084 0.0995 0.1405
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0995 0.0995
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3018 0.3018
Brugia malayi hypothetical protein 0.0149 0.2215 0.2215
Loa Loa (eye worm) TAR-binding protein 0.0192 0.3018 0.3018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.2866 0.2866
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0184 0.2866 0.2866
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.2502 0.353
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0192 0.3018 0.3018
Echinococcus multilocularis tar DNA binding protein 0.0192 0.3018 0.4259
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1627 0.1627
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.2272 0.3206
Loa Loa (eye worm) hypothetical protein 0.0067 0.0681 0.0681
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0995 0.0958
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1627 0.1627
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.2272 0.3206
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3018 0.3018
Echinococcus multilocularis tumor protein p63 0.0408 0.7087 1
Schistosoma mansoni glutaminase 0.0563 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0995 0.0958
Mycobacterium ulcerans glutaminase 0.0563 1 0.5
Echinococcus granulosus chromobox protein 1 0.0084 0.0995 0.1405
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0681 0.0681
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2502 0.2502
Brugia malayi TAR-binding protein 0.0192 0.3018 0.3018
Schistosoma mansoni hypothetical protein 0.0175 0.2695 0.2695
Loa Loa (eye worm) hypothetical protein 0.0149 0.2215 0.2215
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1268 0.1268
Loa Loa (eye worm) glutaminase 2 0.0563 1 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0367 0.0328
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.2866 0.4045
Schistosoma mansoni chromobox protein 0.0084 0.0995 0.0995
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.2866 0.4045
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3018 0.3018
Echinococcus granulosus chromobox protein 1 0.0084 0.0995 0.1405
Loa Loa (eye worm) hypothetical protein 0.0099 0.1268 0.1268
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0536 0.0536
Echinococcus granulosus geminin 0.0175 0.2695 0.3803
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3018 0.3018
Loa Loa (eye worm) hypothetical protein 0.0047 0.03 0.03
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2502 0.2502
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1268 0.1268
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0367 0.1229
Onchocerca volvulus 0.006 0.0536 0.2031
Echinococcus multilocularis chromobox protein 1 0.0084 0.0995 0.1405
Loa Loa (eye worm) RNA binding protein 0.0192 0.3018 0.3018
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1268 0.1268
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0367 0.0328
Brugia malayi chromobox protein homolog 3 0.0047 0.03 0.03
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3018 0.3018
Brugia malayi MH2 domain containing protein 0.0118 0.1627 0.1627
Brugia malayi RNA recognition motif domain containing protein 0.0192 0.3018 0.3018
Loa Loa (eye worm) glutaminase 0.0563 1 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0995 0.0995
Loa Loa (eye worm) hypothetical protein 0.0037 0.0108 0.0108
Echinococcus granulosus tar DNA binding protein 0.0192 0.3018 0.4259
Schistosoma mansoni hypothetical protein 0.0152 0.2272 0.2272
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.03 0.026
Echinococcus multilocularis geminin 0.0175 0.2695 0.3803
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.03 0.091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.2866 0.2866

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0028 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0398 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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