Detailed information for compound 658431

Basic information

Technical information
  • TDR Targets ID: 658431
  • Name: 6-bromo-3-[2-[(4-bromophenyl)amino]-1,3-thiaz ol-4-yl]chromen-2-one
  • MW: 478.157 | Formula: C18H10Br2N2O2S
  • H donors: 1 H acceptors: 2 LogP: 5.87 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)Nc1scc(n1)c1cc2cc(Br)ccc2oc1=O
  • InChi: 1S/C18H10Br2N2O2S/c19-11-1-4-13(5-2-11)21-18-22-15(9-25-18)14-8-10-7-12(20)3-6-16(10)24-17(14)23/h1-9H,(H,21,22)
  • InChiKey: YKRSNQBLQSNJRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-bromo-3-[2-[(4-bromophenyl)amino]thiazol-4-yl]chromen-2-one
  • 6-bromo-3-[2-[(4-bromophenyl)amino]-4-thiazolyl]-2-chromenone
  • 6-bromo-3-[2-[(4-bromophenyl)amino]thiazol-4-yl]coumarin
  • AG-205/36593002
  • A1201/0055289

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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0298 0.0845
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0333 0.2076 0.9671
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1502 1 1
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0165 0.0935 0.4357
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0186 0.0813
Schistosoma mansoni hypothetical protein 0.0343 0.2147 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0056 0.0202 0.0572
Brugia malayi Bromodomain containing protein 0.0089 0.0421 0.1955
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.0692 0.3151
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0064 0.0255 0.0722
Loa Loa (eye worm) hypothetical protein 0.005 0.0161 0.0176
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0333 0.2076 1
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0333 0.2076 1
Brugia malayi Bromodomain containing protein 0.0045 0.0126 0.0522
Loa Loa (eye worm) hypothetical protein 0.0333 0.2076 1
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0333 0.2076 1
Brugia malayi phosphofructokinase 0.0129 0.0692 0.327
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0056 0.0202 0.0941
Echinococcus granulosus neuropeptide s receptor 0.0548 0.3531 1
Onchocerca volvulus 0.0056 0.0202 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0056 0.0202 0.5
Loa Loa (eye worm) 6-phosphofructokinase 0.0129 0.0692 0.2897
Echinococcus multilocularis polycomb protein SCMH1 0.0056 0.0202 0.0572
Echinococcus multilocularis neuropeptide s receptor 0.0548 0.3531 1
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0333 0.2076 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0186 0.0527
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0113 0.0583 0.2611
Brugia malayi 6-phosphofructokinase 0.0129 0.0692 0.327
Entamoeba histolytica phosphofructokinase, putative 0.0129 0.0692 0.3151
Echinococcus multilocularis SAM and MBT domain containing protein 0.0056 0.0202 0.0572
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0333 0.2076 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0186 0.0527
Brugia malayi 6-phosphofructokinase 0.0129 0.0692 0.327
Echinococcus multilocularis histone acetyltransferase MYST2 0.0064 0.0255 0.0722
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0165 0.0935 0.4455
Echinococcus granulosus polycomb protein SCMH1 0.0056 0.0202 0.0572
Echinococcus granulosus histone acetyltransferase MYST2 0.0064 0.0255 0.0722
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0186 0.0527
Echinococcus granulosus neuropeptide receptor A26 0.0548 0.3531 1
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.0202 0.0941
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1502 1 1
Echinococcus granulosus 6 phosphofructokinase 0.0129 0.0692 0.1959
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0165 0.0935 0.2649
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0186 0.0304
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.0202 0.0941
Schistosoma mansoni 6-phosphofructokinase 0.0129 0.0692 0.3222
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0165 0.0935 0.2649
Loa Loa (eye worm) hypothetical protein 0.0056 0.0202 0.0384
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0333 0.2076 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0223 0.1328 0.3761
Loa Loa (eye worm) hypothetical protein 0.0084 0.0387 0.1332
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0064 0.0255 0.1147
Plasmodium falciparum phenylalanine--tRNA ligase 0.0165 0.0935 0.4357
Loa Loa (eye worm) hypothetical protein 0.0048 0.0146 0.0098
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0113 0.0583 0.2611
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0107 0.0304
Loa Loa (eye worm) MBCTL1 0.0064 0.0255 0.0656
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0333 0.2076 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0129 0.0692 0.2897
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0064 0.0255 0.0722
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0333 0.2076 0.5879
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0333 0.2076 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0255 0.0656
Schistosoma mansoni bromodomain containing protein 0.0075 0.0327 0.1523
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.0692 0.3151
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0129 0.0692 0.3151
Entamoeba histolytica phosphofructokinase, putative 0.0129 0.0692 0.3151
Echinococcus multilocularis 6 phosphofructokinase 0.0129 0.0692 0.1959
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0186 0.0867
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0165 0.0935 0.4357
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0223 0.1328 0.3761
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.022 0.1313 1
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0333 0.2076 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0113 0.0583 0.2714
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1502 1 0.5
Loa Loa (eye worm) phosphofructokinase 0.0129 0.0692 0.2897
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.0692 0.3151
Schistosoma mansoni 6-phosphofructokinase 0.0129 0.0692 0.3222
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0186 0.0527
Plasmodium falciparum phenylalanine--tRNA ligase 0.0132 0.0712 0.3252
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0298 0.0845
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0186 0.0867
Brugia malayi mbt repeat family protein 0.0056 0.0202 0.0889
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0107 0.0304
Loa Loa (eye worm) mbt repeat family protein 0.0056 0.0202 0.0384
Echinococcus multilocularis neuropeptide receptor A26 0.0548 0.3531 1
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0165 0.0935 0.4357
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0186 0.0867
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0333 0.2076 1
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0333 0.2076 1
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0333 0.2076 0.5879
Schistosoma mansoni myelin transcription factor 1 myt1 0.0064 0.0255 0.1188
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.0692 0.3151
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0165 0.0935 0.4147
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0113 0.0583 0.2611
Entamoeba histolytica phosphofructokinase, putative 0.0129 0.0692 0.3151
Brugia malayi mbt repeat family protein 0.0056 0.0202 0.0889

Activities

No activities found for this compound.

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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