Detailed information for compound 1752692

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.395 | Formula: C19H15F3N2OS
  • H donors: 1 H acceptors: 2 LogP: 4.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NC(c1ccccc1)c1scc(n1)c1cccc(c1)C(F)(F)F
  • InChi: 1S/C19H15F3N2OS/c1-12(25)23-17(13-6-3-2-4-7-13)18-24-16(11-26-18)14-8-5-9-15(10-14)19(20,21)22/h2-11,17H,1H3,(H,23,25)
  • InChiKey: DTBCEBNJQKJOGF-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus granulosus calpain A 0.002 0.0021 0.0021
Leishmania major proteasome beta 5 subunit, putative 0.0157 0.2942 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0621 0.1282
Brugia malayi calpain family protein 1 0.0053 0.0725 0.1497
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0157 0.2942 1
Echinococcus granulosus proteasome prosome macropain 0.0157 0.2942 0.2942
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0157 0.2942 0.8668
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.007 0.1091 0.3661
Echinococcus multilocularis hypothetical protein 0.002 0.0021 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0621 0.1829
Loa Loa (eye worm) calpain family protein 1 0.0053 0.0725 0.1497
Echinococcus granulosus proteasome prosome macropain subunit beta 0.007 0.1091 0.1091
Echinococcus multilocularis geminin 0.0179 0.3395 0.3395
Echinococcus granulosus calpain A 0.0056 0.0776 0.0776
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0021 0.0063
Schistosoma mansoni hypothetical protein 0.0179 0.3395 1
Brugia malayi calpain family protein 1 0.0053 0.0725 0.1497
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.007 0.1091 0.3661
Mycobacterium ulcerans proteasome PrcB 0.0157 0.2942 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.047 0.0971
Echinococcus granulosus calpain 0.002 0.0021 0.0021
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0053 0.0725 0.2136
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0021 0.0063
Onchocerca volvulus 0.0033 0.0299 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0489 1 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.007 0.1091 0.3213
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0157 0.2942 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0725 0.1497
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0056 0.0776 0.0776
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0621 0.0621
Loa Loa (eye worm) hypothetical protein 0.0047 0.0597 0.1233
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.007 0.1091 0.3661
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0157 0.2942 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0157 0.2942 1
Echinococcus granulosus calpain 5 0.002 0.0021 0.0021
Loa Loa (eye worm) proteasome subunit beta type 1 0.007 0.1091 0.2253
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.0776 0.2286
Echinococcus granulosus calpain 7 C02 family 0.002 0.0021 0.0021
Loa Loa (eye worm) calpain 0.002 0.0021 0.0044
Brugia malayi Proteasome A-type and B-type family protein 0.0157 0.2942 0.6077
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0157 0.2942 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0621 0.0621
Trypanosoma brucei proteasome beta 6 subunit 0.007 0.1091 0.3661
Echinococcus multilocularis proteasome (prosome, macropain) 0.0157 0.2942 0.2942
Loa Loa (eye worm) hypothetical protein 0.0041 0.047 0.0971
Loa Loa (eye worm) hypothetical protein 0.0033 0.0299 0.0617
Echinococcus granulosus neuropeptide receptor A26 0.0489 1 1
Loa Loa (eye worm) calpain family protein 1 0.0039 0.0427 0.0882
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0621 0.1829
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0021 0.0063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0621 0.1829
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0875 0.1807
Echinococcus multilocularis calpain A 0.0056 0.0776 0.0776
Schistosoma mansoni calpain C (C02 family) 0.002 0.0021 0.0063
Schistosoma mansoni hypothetical protein 0.0179 0.3395 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0247 0.4842 1
Schistosoma mansoni hypothetical protein 0.0041 0.047 0.1384
Brugia malayi calpain 7 0.002 0.0021 0.0044
Echinococcus multilocularis neuropeptide receptor A26 0.0489 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0157 0.2942 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0621 0.0621
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0056 0.0776 0.0776
Echinococcus multilocularis calpain family protein 1, d 0.0039 0.0427 0.0427
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0157 0.2942 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.0776 0.2286
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0875 0.1807
Plasmodium vivax proteasome subunit beta type-1, putative 0.007 0.1091 0.3661
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0875 0.1807
Plasmodium vivax proteasome subunit beta type-5, putative 0.0157 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0427 0.0882
Loa Loa (eye worm) hypothetical protein 0.006 0.0875 0.1807
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.0021 0.0021
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0157 0.2942 1
Echinococcus multilocularis calpain 5 0.002 0.0021 0.0021
Schistosoma mansoni calpain (C02 family) 0.002 0.0021 0.0063
Toxoplasma gondii proteasome subunit beta type, putative 0.0157 0.2942 1
Brugia malayi proteasome subunit beta type 1 0.007 0.1091 0.2253
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0157 0.2942 0.5
Echinococcus multilocularis calpain 0.002 0.0021 0.0021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0621 0.1282
Echinococcus granulosus geminin 0.0179 0.3395 0.3395
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0621 0.0621
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0157 0.2942 0.6077
Brugia malayi follicle stimulating hormone receptor 0.0247 0.4842 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.007 0.1091 0.1091

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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