Detailed information for compound 849337

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 568.934 | Formula: C23H23BrClN3O3S2
  • H donors: 1 H acceptors: 3 LogP: 5.67 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cccc(c1)N1CCN(CC1)C(=O)C(NS(=O)(=O)c1ccc(s1)Br)Cc1ccccc1
  • InChi: 1S/C23H23BrClN3O3S2/c24-21-9-10-22(32-21)33(30,31)26-20(15-17-5-2-1-3-6-17)23(29)28-13-11-27(12-14-28)19-8-4-7-18(25)16-19/h1-10,16,20,26H,11-15H2
  • InChiKey: IZUWNATWZOAPIT-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) AGC/PKN protein kinase 0.0086 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Brugia malayi steroid hormone receptor 0.0266 0.2794 0.2742
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0421 0.1125
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.016 0.1539 0.4112
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0359 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0126 0.1133 0.4056
Loa Loa (eye worm) hypothetical protein 0.0141 0.1311 0.1311
Loa Loa (eye worm) AGC/NDR protein kinase 0.0036 0.0071 0.0071
Brugia malayi ecdysone receptor 0.0126 0.1133 0.1069
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0126 0.1133 0.3027
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0141 0.1311 0.3502
Entamoeba histolytica protein kinase, putative 0.0036 0.0071 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0266 0.2794 0.2742
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Loa Loa (eye worm) hypothetical protein 0.0141 0.1311 0.1311
Loa Loa (eye worm) hypothetical protein 0.0185 0.1829 0.1829
Loa Loa (eye worm) hypothetical protein 0.0266 0.2794 0.2794
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0036 0.0071 0.0191
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0359 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0266 0.2794 0.2742
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0266 0.2794 0.2794
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Echinococcus granulosus Protein kinase C brain isozyme 0.0225 0.231 0.6171
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0141 0.1311 0.3502
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Loa Loa (eye worm) steroid hormone receptor 0.0266 0.2794 0.2794
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0266 0.2794 0.7462
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0347 0.3744 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0071 0.0071
Schistosoma mansoni coup transcription factor 0.0266 0.2794 0.7462
Loa Loa (eye worm) hypothetical protein 0.016 0.1539 0.1539
Brugia malayi Steroid receptor seven-up type 2 0.0266 0.2794 0.2742
Brugia malayi Protein kinase c protein 2 0.0191 0.1909 0.1851
Brugia malayi Nuclear hormone receptor-like 1 0.0141 0.1311 0.1248
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0266 0.2794 0.7462
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0266 0.2794 0.2742
Brugia malayi hypothetical protein 0.0141 0.1311 0.1248
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0266 0.2794 0.2742
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0266 0.2794 0.7462
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0359 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.005 0.0245 0.0655
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0266 0.2794 0.7462
Loa Loa (eye worm) hypothetical protein 0.0141 0.1311 0.1311
Echinococcus multilocularis thyroid hormone receptor alpha 0.0266 0.2794 0.7462
Loa Loa (eye worm) DR-78 0.0126 0.1133 0.1133
Brugia malayi tailless protein 0.0126 0.1133 0.1069
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0126 0.1133 0.3027
Trypanosoma brucei rac serine-threonine kinase, putative 0.0036 0.0071 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0266 0.2794 0.7462
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0036 0.0071 0.0071
Entamoeba histolytica protein kinase, putative 0.0036 0.0071 0.5
Loa Loa (eye worm) hypothetical protein 0.0266 0.2794 0.2794
Schistosoma mansoni nuclear receptor 0.0126 0.1133 0.3027
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0266 0.2794 0.7462
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0036 0.0071 0.0071
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0036 0.0071 0.0071
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.0666 0.1779
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0266 0.2794 0.7462
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0266 0.2794 0.7462
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0266 0.2794 0.2742
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0266 0.2794 0.2794
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0036 0.0071 0.0071
Onchocerca volvulus Bile acid receptor homolog 0.0266 0.2794 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0359 0.096
Loa Loa (eye worm) hypothetical protein 0.0266 0.2794 0.2794
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0266 0.2794 0.2742
Echinococcus multilocularis serine threonine protein kinase 0.0201 0.202 0.5397
Onchocerca volvulus 0.0126 0.1133 0.4056
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0266 0.2794 0.7462
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Brugia malayi orphan nuclear receptor NR2E1 0.0126 0.1133 0.1069
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0266 0.2794 0.7462
Schistosoma mansoni serine/threonine kinase 0.0036 0.0071 0.0191
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0126 0.1133 0.3027
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0347 0.3744 1
Entamoeba histolytica protein kinase, putative 0.0036 0.0071 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0266 0.2794 0.2742
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Schistosoma mansoni zinc finger protein 0.0126 0.1133 0.3027
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Echinococcus multilocularis RNA directed DNA polymerase 0.016 0.1539 0.4112
Echinococcus multilocularis ecdysone induced protein 78C 0.0266 0.2794 0.7462
Brugia malayi Hr1 repeat family protein 0.0086 0.0666 0.0599
Brugia malayi nuclear hormone receptor 0.0266 0.2794 0.2742
Schistosoma mansoni nuclear hormone receptor 0.0266 0.2794 0.7462
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0266 0.2794 0.7462
Echinococcus granulosus NDR protein kinase 0.0036 0.0071 0.0191
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0266 0.2794 0.7462
Echinococcus granulosus serine:threonine protein kinase N2 0.0086 0.0666 0.1779
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0141 0.1311 0.3502
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0225 0.231 0.6171
Brugia malayi nuclear receptor RXR 0.0126 0.1133 0.1069
Brugia malayi photoreceptor-specific nuclear receptor 0.0266 0.2794 0.2742
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0266 0.2794 0.7462
Brugia malayi Nuclear hormone receptor E75 0.0126 0.1133 0.1069
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0036 0.0071 0.0191
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0295 0.0788
Loa Loa (eye worm) hypothetical protein 0.0141 0.1311 0.1311
Schistosoma mansoni thyroid hormone receptor 0.0266 0.2794 0.7462
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0359 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.0126 0.1133 0.3027
Loa Loa (eye worm) AGC/AKT protein kinase 0.0036 0.0071 0.0071
Echinococcus multilocularis nuclear receptor nhr 48 0.0126 0.1133 0.3027
Loa Loa (eye worm) nuclear hormone receptor 0.0126 0.1133 0.1133
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0266 0.2794 0.2794
Schistosoma mansoni atypical protein kinase C 0.006 0.0361 0.0964
Brugia malayi nuclear hormone receptor family member nhr-6 0.0126 0.1133 0.1069
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0266 0.2794 0.2794
Echinococcus multilocularis FTZ F1 alpha 0.0266 0.2794 0.7462
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0036 0.0071 0.0191
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Onchocerca volvulus 0.0126 0.1133 0.4056
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0877 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0071 0.0191
Schistosoma mansoni steroid hormone receptor ad4bp 0.0266 0.2794 0.7462
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0266 0.2794 0.2794
Schistosoma mansoni lipoxygenase 0.0055 0.0295 0.0788
Brugia malayi hypothetical protein 0.0126 0.1133 0.1069
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0266 0.2794 0.7462
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0126 0.1133 0.3027
Schistosoma mansoni nuclear hormone receptor 0.0126 0.1133 0.3027
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0126 0.1133 0.1069
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Brugia malayi nuclear hormone receptor family member odr-7 0.0126 0.1133 0.1069
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0359 0.5
Loa Loa (eye worm) hypothetical protein 0.0266 0.2794 0.2794
Echinococcus granulosus RNA directed DNA polymerase 0.016 0.1539 0.4112
Brugia malayi ecdysteroid receptor 0.0266 0.2794 0.2742
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0359 0.5
Brugia malayi nuclear receptor RXR 0.0141 0.1311 0.1248
Schistosoma mansoni retinoic acid receptor RXR 0.0266 0.2794 0.7462
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0359 0.096
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0126 0.1133 0.3027
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0126 0.1133 0.3027
Brugia malayi nuclear receptor NHR-67 0.0126 0.1133 0.1069
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0266 0.2794 0.2742
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Onchocerca volvulus 0.0266 0.2794 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0266 0.2794 1
Brugia malayi nuclear receptor NHR-88 0.0126 0.1133 0.1069
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0036 0.0071 0.0191
Echinococcus granulosus thyroid hormone receptor alpha 0.0126 0.1133 0.3027
Brugia malayi protein kinase C II. 0.0065 0.0421 0.0352
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0126 0.1133 0.4056
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0266 0.2794 0.2742
Echinococcus granulosus protein kinase C gamma type 0.0201 0.202 0.5397
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0266 0.2794 0.2742
Schistosoma mansoni serine/threonine protein kinase 0.0225 0.231 0.6171
Echinococcus granulosus ecdysone induced protein 78C 0.0266 0.2794 0.7462
Schistosoma mansoni nuclear receptor nhr-48 0.0126 0.1133 0.3027
Loa Loa (eye worm) nuclear receptor NHR-67 0.0126 0.1133 0.1133
Brugia malayi nuclear hormone receptor 0.0126 0.1133 0.1069
Brugia malayi Nuclear hormone receptor E75 0.0126 0.1133 0.1069
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0266 0.2794 0.7462
Loa Loa (eye worm) hypothetical protein 0.0266 0.2794 0.2794
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0126 0.1133 0.3027
Echinococcus granulosus Nuclear hormone receptor HR96 0.0126 0.1133 0.3027
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0266 0.2794 0.2794
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0071 0.0191
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0266 0.2794 0.7462
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0347 0.3744 0.3699
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0266 0.2794 0.2794
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Entamoeba histolytica protein kinase, putative 0.0036 0.0071 0.5
Schistosoma mansoni nuclear receptor 0.0126 0.1133 0.3027
Schistosoma mansoni serine/threonine protein kinase 0.0225 0.231 0.6171
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Brugia malayi nuclear receptor NHR-88 0.0266 0.2794 0.2742
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0141 0.1311 0.3502
Brugia malayi Nuclear hormone receptor-like 1 0.0141 0.1311 0.1248
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0065 0.0421 0.0421
Schistosoma mansoni nuclear hormone receptor 0.0126 0.1133 0.3027
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0266 0.2794 0.2742
Echinococcus multilocularis protein kinase c iota type 0.006 0.0361 0.0964
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0359 0.096
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0347 0.3744 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0266 0.2794 0.2742
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0295 0.0788
Loa Loa (eye worm) hypothetical protein 0.0266 0.2794 0.2794
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0359 0.096
Echinococcus multilocularis serine:threonine protein kinase N2 0.0086 0.0666 0.1779
Echinococcus granulosus protein kinase c epsilon type 0.0065 0.0421 0.1125
Echinococcus granulosus protein kinase c iota type 0.006 0.0361 0.0964
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0266 0.2794 0.7462
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0126 0.1133 0.1133
Echinococcus granulosus FTZ F1 alpha 0.0266 0.2794 0.7462
Brugia malayi Fes/CIP4 homology domain containing protein 0.005 0.0245 0.0175
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0126 0.1133 0.3027
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0167 0.162 0.162
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0266 0.2794 0.2742
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0347 0.3744 0.3744
Echinococcus multilocularis serine:threonine protein kinase N2 0.0036 0.0071 0.0191
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0071 0.0191
Brugia malayi Nuclear hormone receptor-like 1 0.0266 0.2794 0.2742
Loa Loa (eye worm) hypothetical protein 0.0266 0.2794 0.2794
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0071 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0126 0.1133 0.3027
Schistosoma mansoni RAR-like nuclear receptor 0.0266 0.2794 0.7462
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0036 0.0071 0.0191
Schistosoma mansoni thyroid hormone receptor 0.0266 0.2794 0.7462
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0036 0.0071 0.0191
Echinococcus multilocularis serine:threonine protein kinase 38 0.0036 0.0071 0.0191
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0266 0.2794 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0126 0.1133 0.3027
Loa Loa (eye worm) hypothetical protein 0.0141 0.1311 0.1311
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0266 0.2794 0.7462
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0266 0.2794 0.7462
Loa Loa (eye worm) thyroid receptor interactor 0.005 0.0245 0.0245
Brugia malayi conserved hypotetical protein 0.0126 0.1133 0.1069
Brugia malayi hypothetical protein 0.0126 0.1133 0.1069
Echinococcus granulosus serine:threonine protein kinase N2 0.005 0.0245 0.0655
Loa Loa (eye worm) hypothetical protein 0.0266 0.2794 0.2794
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0141 0.1311 0.1311
Loa Loa (eye worm) hypothetical protein 0.0126 0.1133 0.1133
Brugia malayi hypothetical protein 0.0141 0.1311 0.1248
Echinococcus multilocularis protein kinase c epsilon type 0.0065 0.0421 0.1125

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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