Detailed information for compound 504813

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 461.671 | Formula: C15H10Cl3F3N2O3S
  • H donors: 1 H acceptors: 2 LogP: 5.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)/C=N/OCc1ccc(cc1Cl)Cl)NS(=O)(=O)C(F)(F)F
  • InChi: 1S/C15H10Cl3F3N2O3S/c16-11-3-4-14(23-27(24,25)15(19,20)21)10(5-11)7-22-26-8-9-1-2-12(17)6-13(9)18/h1-7,23H,8H2/b22-7+
  • InChiKey: IAXCYXRTSTZJMM-QPJQQBGISA-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0312 0.0661
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.4282 0.6004
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0261 0.6226 1
Toxoplasma gondii hypothetical protein 0.0043 0.0058 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0208 0.4725 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0312 0.0438
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0208 0.4725 1
Mycobacterium tuberculosis Probable integral membrane protein 0.0043 0.0058 0.0093
Echinococcus multilocularis geminin 0.0193 0.4282 0.9062
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0208 0.4725 1
Onchocerca volvulus Glucosylceramidase homolog 0.0193 0.4282 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0043 0.0058 0.0093
Schistosoma mansoni hypothetical protein 0.0193 0.4282 0.9062
Treponema pallidum hypothetical protein 0.0043 0.0058 0.5
Mycobacterium ulcerans hypothetical protein 0.0043 0.0058 1
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.7132 1
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.4282 0.6004
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.4282 0.6004
Echinococcus multilocularis CAAX prenyl protease 2 0.0208 0.4725 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0043 0.0058 0.0093
Plasmodium falciparum protease, putative 0.0043 0.0058 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.4282 0.6004
Entamoeba histolytica CAAX prenyl protease family 0.0208 0.4725 0.4694
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.7132 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0208 0.4725 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0043 0.0058 0.0093
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0208 0.4725 1
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.4282 0.6004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0312 0.0661
Toxoplasma gondii CAAX amino terminal protease family protein 0.0043 0.0058 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0058 1
Echinococcus granulosus CAAX prenyl protease 2 0.0208 0.4725 1
Mycobacterium leprae conserved hypothetical protein 0.0041 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.7132 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0293 0.7132 1
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.7132 1
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.7132 1
Chlamydia trachomatis hypothetical protein 0.0043 0.0058 0.5
Giardia lamblia DNA repair protein RAD52 0.0395 1 1
Entamoeba histolytica hypothetical protein 0.0112 0.2019 0.1972
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.4282 0.6004
Toxoplasma gondii hypothetical protein 0.0043 0.0058 1
Plasmodium vivax protease, putative 0.0043 0.0058 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0312 0.0661
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.4282 0.6004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0312 0.0661
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0208 0.4725 1
Brugia malayi CAAX amino terminal protease family protein 0.0208 0.4725 0.6626
Mycobacterium ulcerans integral membrane protein 0.0043 0.0058 1
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.4575 0.6415
Schistosoma mansoni hypothetical protein 0.0193 0.4282 0.9062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0312 0.0661
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.7132 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0312 0.0661
Echinococcus granulosus geminin 0.0193 0.4282 0.9062
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0293 0.7132 1
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0112 0.2019 0.1972
Mycobacterium leprae Probable lipase LipE 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0208 0.4725 0.6626
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0312 0.0661
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0208 0.4725 0.6626
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0312 0.0438
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.4575 0.6415

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 12 % Parasiticidal activity against Ctenocephalides felis after 8 hrs by cat flea assay ChEMBL. 18006308
LD99 (functional) = 2 uM Parasiticidal activity against Haemonchus contortus by larval assay ChEMBL. 18006308

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

1 literature reference was collected for this gene.

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