Detailed information for compound 26267

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 293.426 | Formula: C19H19NS
  • H donors: 0 H acceptors: 0 LogP: 4.83 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cccc2c1cccc2)C/C=C/c1cscc1
  • InChi: 1S/C19H19NS/c1-20(12-5-6-16-11-13-21-15-16)14-18-9-4-8-17-7-2-3-10-19(17)18/h2-11,13,15H,12,14H2,1H3/b6-5+
  • InChiKey: HLKWFSVPOTUISQ-AATRIKPKSA-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 geranylgeranyl transferase type 2 subunit alpha 0.1273 0.2459 0.2459
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.4269 0.8876 0.8805
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.3828 0.793 0.7799
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.1411 0.2755 0.2755
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0432 0.0658 0.0658
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.4794 1 1
Plasmodium vivax farnesyltransferase beta subunit, putative 0.3828 0.793 0.7256
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.4269 0.8876 0.8876
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0432 0.0658 0.0658
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.4269 0.8876 0.8876
Loa Loa (eye worm) hypothetical protein 0.1411 0.2755 0.2755
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.3828 0.793 0.7799
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.4794 1 1
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.1411 0.2755 0.2295
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.3828 0.793 0.793
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0432 0.0658 0.0658
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.1411 0.2755 0.0541
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.1273 0.2459 0.2459
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.1411 0.2755 0.2295
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.1411 0.2755 0.0393
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.4794 1 1
Loa Loa (eye worm) hypothetical protein 0.4794 1 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.4794 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.1411 0.2755 0.0541
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.1273 0.2459 0.2459
Loa Loa (eye worm) hypothetical protein 0.1411 0.2755 0.2755
Giardia lamblia Rab geranylgeranyltransferase 0.4794 1 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.4269 0.8876 0.8876
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.4269 0.8876 0.8876
Schistosoma mansoni protein farnesyltransferase subunit beta 0.3828 0.793 0.793
Trypanosoma cruzi protein farnesyltransferase, putative 0.3828 0.793 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.4794 1 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.1502 0.2949 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.1411 0.2755 0.0541
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.3828 0.793 0.793
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.1273 0.2459 0.2459
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.1411 0.2755 0.0541
Leishmania major farnesyltransferase beta subunit 0.3828 0.793 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.4794 1 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.3828 0.793 0.7799
Trypanosoma cruzi protein farnesyltransferase, putative 0.3828 0.793 1
Trypanosoma cruzi lanosterol synthase, putative 0.1502 0.2949 0.0896
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1273 0.2459 0.198
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.3828 0.793 0.7799
Loa Loa (eye worm) hypothetical protein 0.0375 0.0536 0.0536
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1273 0.2459 0.2459
Plasmodium vivax conserved Plasmodium protein, unknown function 0.2416 0.4907 0.3247
Plasmodium vivax geranylgeranyltransferase, putative 0.1411 0.2755 0.0393
Echinococcus granulosus protein prenyltransferase alpha subunit 0.1273 0.2459 0.2459
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.3828 0.793 0.793
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.1273 0.2459 0.2459
Schistosoma mansoni voltage-gated potassium channel 0.0472 0.0743 0.0743
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.4269 0.8876 0.8876
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.3828 0.793 0.7256
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0432 0.0658 0.0658
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.4794 1 1
Trypanosoma brucei protein farnesyltransferase beta subunit 0.3828 0.793 1
Plasmodium falciparum geranylgeranyltransferase, putative 0.1411 0.2755 0.0393
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.4794 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.1411 0.2755 0.0393
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.4269 0.8876 0.8876
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.1411 0.2755 0.0393
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.1411 0.2755 0.2755
Leishmania major geranylgeranyltransferase, putative 0.1411 0.2755 0.0541
Toxoplasma gondii hypothetical protein 0.3521 0.7273 0.8799
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.1411 0.2755 0.0393
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.3828 0.793 0.7799
Onchocerca volvulus 0.1273 0.2459 0.5
Trypanosoma cruzi lanosterol synthase, putative 0.1502 0.2949 0.0896
Plasmodium vivax prenyltransferase alpha subunit, putative 0.4794 1 1
Trypanosoma brucei lanosterol synthase 0.1502 0.2949 0.0896
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.4269 0.8876 0.851
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.1411 0.2755 0.0541
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.3828 0.793 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.4794 1 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.3828 0.793 0.7256
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.1411 0.2755 0.2755
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.1411 0.2755 0.0541
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.3828 0.793 0.7799
Giardia lamblia Prenyltransferase 0.3828 0.793 0.7256
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.3521 0.7273 0.71
Echinococcus granulosus protein farnesyltransferase subunit beta 0.3828 0.793 0.793
Schistosoma mansoni voltage-gated potassium channel 0.0472 0.0743 0.0743

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 7 % In vivo antifungal activity by topical treatment of guinea pig dermatophytosis caused by Trichophyton mentagrophytes at a dose of 0.1% ChEMBL. 3510297
Activity (functional) = 47 % In vivo antifungal activity by topical treatment of guinea pig dermatophytosis caused by Trichophyton mentagrophytes at a dose of 0.5% ChEMBL. 3510297
Activity (functional) = 100 % In vivo antifungal activity by topical treatment of guinea pig dermatophytosis caused by Trichophyton mentagrophytes at a dose of 2% ChEMBL. 3510297
MIC (functional) = 0.1 ug ml-1 Antifungal activity measured against Trichophyton mentagrophytes ChEMBL. 3510297
MIC (functional) = 0.1 ug ml-1 Antifungal activity against Epidermophyton floccosum. ChEMBL. 3510297
MIC (functional) = 0.2 ug ml-1 Antifungal activity against Microsporum canis ChEMBL. 3510297
MIC (functional) = 3.1 ug ml-1 Antifungal activity measured against Sporothrix schenck ii. ChEMBL. 3510297
MIC (functional) = 6.2 ug ml-1 Antifungal activity against Candida parapsilosis. ChEMBL. 3510297
MIC (functional) = 50 ug ml-1 Antifungal activity measured against Aspergillus fumigatus ChEMBL. 3510297

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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