Detailed information for compound 516523

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.329 | Formula: C19H17Cl2N3OS
  • H donors: 0 H acceptors: 1 LogP: 4.5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(Cl)cc(c1)/N=c/1\scc(n1C)CC(=O)N(c1ccccc1)C
  • InChi: 1S/C19H17Cl2N3OS/c1-23(16-6-4-3-5-7-16)18(25)11-17-12-26-19(24(17)2)22-15-9-13(20)8-14(21)10-15/h3-10,12H,11H2,1-2H3/b22-19-
  • InChiKey: PCWSXZXNYABNIA-QOCHGBHMSA-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
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0142 0.0154 0.0632
Plasmodium falciparum geranylgeranyltransferase, putative 0.0142 0.0154 0.0632
Trypanosoma brucei hypothetical protein, conserved 0.0279 0.0977 0.3179
Plasmodium falciparum plasmepsin I 0.0266 0.0901 0.3706
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0279 0.0977 0.3179
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0279 0.0977 0.3617
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0395 0.1678 0.6692
Trypanosoma cruzi lanosterol synthase, putative 0.0573 0.2745 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0266 0.0901 0.3281
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0142 0.0154 0.0154
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0573 0.2745 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0279 0.0977 0.0977
Trypanosoma brucei lanosterol synthase 0.0573 0.2745 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0521 0.2431 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0395 0.1678 0.6692
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0395 0.1678 0.6692
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0395 0.1678 0.6692
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0142 0.0154 0.0632
Toxoplasma gondii hypothetical protein 0.0279 0.0977 0.5826
Trypanosoma cruzi protein farnesyltransferase, putative 0.0395 0.1678 0.5882
Loa Loa (eye worm) hypothetical protein 0.0266 0.0901 0.3706
Toxoplasma gondii hypothetical protein 0.0242 0.0756 0.4508
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0279 0.0977 0.3179
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0279 0.0977 0.3179
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0242 0.0756 0.2646
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0395 0.1678 0.6901
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0279 0.0977 0.3179
Loa Loa (eye worm) hypothetical protein 0.0142 0.0154 0.0632
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0395 0.1678 0.6692
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0279 0.0977 0.402
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0405 0.1738 0.1738
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0395 0.1678 0.6692
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0279 0.0977 0.402
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0405 0.1738 0.6955
Loa Loa (eye worm) hypothetical protein 0.0142 0.0154 0.0632
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0395 0.1678 0.5882
Plasmodium falciparum plasmepsin IV 0.0266 0.0901 0.3706
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0405 0.1738 0.6955
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0405 0.1738 0.5468
Plasmodium vivax plasmepsin IV, putative 0.0266 0.0901 0.3706
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0521 0.2431 1
Giardia lamblia Rab geranylgeranyltransferase 0.0521 0.2431 1
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0279 0.0977 0.3617
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0142 0.0154 0.0632
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0279 0.0977 0.3617
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0279 0.0977 0.402
Leishmania major farnesyltransferase beta subunit 0.0395 0.1678 0.8759
Trypanosoma cruzi hypothetical protein, conserved 0.0279 0.0977 0.3179
Giardia lamblia Prenyltransferase 0.0395 0.1678 0.6692
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0142 0.0154 0.0916
Plasmodium vivax geranylgeranyltransferase, putative 0.0142 0.0154 0.0632
Toxoplasma gondii aspartyl protease ASP1 0.0266 0.0901 0.537
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0266 0.0901 0.3281
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0395 0.1678 0.1678
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0395 0.1678 0.6901
Loa Loa (eye worm) hypothetical protein 0.0521 0.2431 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0395 0.1678 0.6692
Trypanosoma cruzi lanosterol synthase, putative 0.0573 0.2745 1
Leishmania major lanosterol synthase, putative 0.0431 0.1894 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0405 0.1738 0.7147
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0279 0.0977 0.402
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0142 0.0154 0.0916
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0405 0.1738 0.6955
Onchocerca volvulus 0.0279 0.0977 1
Plasmodium falciparum plasmepsin II 0.0266 0.0901 0.3706
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0395 0.1678 0.6692
Schistosoma mansoni cathepsin D (A01 family) 0.0649 0.32 0.32
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0521 0.2431 1
Plasmodium vivax aspartyl proteinase, putative 0.0266 0.0901 0.3706
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0279 0.0977 0.05
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0395 0.1678 0.5077
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0395 0.1678 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0266 0.0901 0.537
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0395 0.1678 0.6901
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0521 0.2431 1
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0279 0.0977 0.05
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0266 0.0901 0.0901
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0521 0.2431 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0521 0.2431 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0405 0.1738 0.7147
Schistosoma mansoni cathepsin D (A01 family) 0.0649 0.32 0.32
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0521 0.2431 1
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0279 0.0977 0.3617
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0395 0.1678 0.6901
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0405 0.1738 0.1738
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0521 0.2431 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0279 0.0977 0.3179
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0279 0.0977 0.3179
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0521 0.2431 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0254 0.0827 0.34
Plasmodium falciparum plasmepsin VI 0.0266 0.0901 0.3706
Trypanosoma cruzi hypothetical protein, conserved 0.0279 0.0977 0.3179
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0266 0.0901 0.3706
Trypanosoma cruzi protein farnesyltransferase, putative 0.0395 0.1678 0.5882
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0521 0.2431 0.2431
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0521 0.2431 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0279 0.0977 0.4734
Giardia lamblia Rab geranylgeranyltransferase 0.0279 0.0977 0.3617

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 8 % Antifungal activity against Magnaporthe grisea infected rice plant after 5 days relative to control ChEMBL. 18299194

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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