Detailed information for compound 1514718

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.302 | Formula: C19H13BrN4OS
  • H donors: 1 H acceptors: 3 LogP: 5.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)nc([nH]2)CSc1nc(C)nc2c1oc1c2cccc1
  • InChi: 1S/C19H13BrN4OS/c1-10-21-17-12-4-2-3-5-15(12)25-18(17)19(22-10)26-9-16-23-13-7-6-11(20)8-14(13)24-16/h2-8H,9H2,1H3,(H,23,24)
  • InChiKey: LDRHASWWKINBCW-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
Brugia malayi latrophilin 2 splice variant baaae 0.0022 0.0158 0.3641
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase A, ppia, putative 0.0012 0.0034 0.5
Echinococcus granulosus expressed protein 0.0012 0.0034 0.0082
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0042 0.0435 1
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 2, putative 0.0328 0.4341 1
Echinococcus multilocularis tumor protein p63 0.0309 0.4087 0.4087
Loa Loa (eye worm) hypothetical protein 0.0032 0.0295 0.6125
Loa Loa (eye worm) cyclophilin-type peptidyl-prolyl cis-trans isomerase-2 0.0012 0.0034 0.0696
Brugia malayi Calcitonin receptor-like protein seb-1 0.0032 0.0295 0.6778
Toxoplasma gondii V-type H(+)-translocating pyrophosphatase VP1 0.0328 0.4341 1
Echinococcus granulosus tumor protein p63 0.0309 0.4087 1
Schistosoma mansoni cellular tumor antigen P53 0.0045 0.0482 0.1132
Echinococcus multilocularis expressed protein 0.0012 0.0034 0.0034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0032 0.0295 0.6125
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0042 0.0435 0.9036
Plasmodium falciparum V-type H(+)-translocating pyrophosphatase, putative 0.0328 0.4341 1
Leishmania major vacuolar-type proton translocating pyrophosphatase 1, putative 0.0328 0.4341 1
Trypanosoma cruzi Vacuolar proton pyrophosphatase 1, putative 0.0328 0.4341 1
Brugia malayi cyclophilin-type peptidyl-prolyl cis-trans isomerase-3, Bmcyp-3 0.0012 0.0034 0.077
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0144 0.1832 0.5
Brugia malayi cyclophilin-type peptidyl-prolyl cis-trans isomerase-2, Bmcyp-2 0.0012 0.0034 0.077
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0435 0.0435
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 1 0.0328 0.4341 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0435 0.1023
Loa Loa (eye worm) hypothetical protein 0.0022 0.0158 0.329
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0435 0.1023
Loa Loa (eye worm) hypothetical protein 0.0045 0.0482 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0435 0.1065
Schistosoma mansoni hypothetical protein 0.0022 0.0158 0.0372
Mycobacterium ulcerans epoxide hydrolase EphA 0.0144 0.1832 0.5
Plasmodium falciparum V-type K+-independent H+-translocating inorganic pyrophosphatase 0.0328 0.4341 1
Schistosoma mansoni cyclophilin 0.0012 0.0034 0.0079
Loa Loa (eye worm) cyclophilin Ovcyp-2 0.0012 0.0034 0.0696
Trypanosoma cruzi vacuolar-type proton translocating pyrophosphatase 1 0.0328 0.4341 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0032 0.0295 0.6778
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0435 0.1065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0435 0.0435
Plasmodium vivax vacuolar-type H+ pumping pyrophosphatase, putative 0.0328 0.4341 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0435 0.1023
Trypanosoma brucei RNA helicase, putative 0.0321 0.4256 0.9803
Plasmodium vivax V-type H(+)-translocating pyrophosphatase, putative 0.0328 0.4341 1
Onchocerca volvulus 0.0045 0.0482 1
Schistosoma mansoni hypothetical protein 0.0321 0.4256 1

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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