Detailed information for compound 1854092

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.462 | Formula: C18H16N2O2S2
  • H donors: 0 H acceptors: 3 LogP: 4.86 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1sc(c(c1c1ccc(cc1)C#N)C#N)SC(C)C
  • InChi: 1S/C18H16N2O2S2/c1-4-22-17(21)16-15(13-7-5-12(9-19)6-8-13)14(10-20)18(24-16)23-11(2)3/h5-8,11H,4H2,1-3H3
  • InChiKey: AQYRASGVPDDNPT-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyltransferase, CAAX box, beta No references
Homo sapiens farnesyltransferase, CAAX box, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus granulosus protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium berghei protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Prenyltransferase Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania braziliensis farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Leishmania major farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium falciparum protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania infantum farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Theileria parva farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus multilocularis protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium knowlesi protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trypanosoma brucei protein farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Babesia bovis prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium berghei protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum protein farnesyltranstransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, alpha [EC:2.5.1.58 2.5.1.59], putative Get druggable targets OG5_128459 All targets in OG5_128459

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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0135 0.4295 0.5917
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0124 0.3806 0.5131
Mycobacterium tuberculosis Probable thioesterase TesA 0.0111 0.3155 0.4254
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0129 0.4032 0.5436
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0199 0.7417 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0076 0.1448 0.1953
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0135 0.4295 0.9104
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.7117 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0141 0.463 0.985
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.7117 0.8222
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0135 0.4295 0.5917
Mycobacterium ulcerans thioesterase 0.0111 0.3155 0.2064
Loa Loa (eye worm) acyl carrier protein 0.0061 0.0748 0.0647
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.7117 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0199 0.7417 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0096 0.2414 0.3255
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0141 0.463 0.6242
Onchocerca volvulus Fatty acid synthase homolog 0.024 0.9402 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0107 0.297 0.172
Toxoplasma gondii type I fatty acid synthase, putative 0.0095 0.2372 0.4825
Mycobacterium ulcerans Type I modular polyketide synthase 0.0133 0.4229 0.4065
Giardia lamblia Prenyltransferase 0.0135 0.4295 0.5917
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0135 0.4295 0.5917
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0141 0.463 0.481
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0141 0.463 0.6242
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0135 0.4295 0.4866
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.7117 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.7117 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0135 0.4295 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0133 0.4229 0.4065
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0141 0.463 0.6242
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0111 0.3155 0.2064
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0098 0.2529 0.3363
Loa Loa (eye worm) fatty acid synthase 0.0131 0.4143 0.4686
Onchocerca volvulus 0.0232 0.9002 0.9565
Loa Loa (eye worm) hypothetical protein 0.0224 0.8611 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0054 0.0391 0.0527
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0129 0.4032 0.5436
Mycobacterium leprae Probable polyketide synthase Pks1 0.0141 0.463 0.481
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0109 0.3055 0.4119
Leishmania major farnesyltransferase beta subunit 0.0135 0.4295 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0135 0.4295 0.5917
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.7117 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.7117 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.4697 0.65
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0135 0.4295 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0133 0.4229 0.5702
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.7117 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.7117 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0141 0.463 0.481
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0133 0.4229 0.4065
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0135 0.4295 0.4176
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0124 0.3806 0.4284
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0135 0.4295 0.5917
Mycobacterium leprae Polyketide synthase Pks13 0.0199 0.7417 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0107 0.297 0.172
Toxoplasma gondii hypothetical protein 0.0143 0.4697 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0135 0.4295 0.5917
Mycobacterium ulcerans Type I modular polyketide synthase 0.0133 0.4229 0.4065
Onchocerca volvulus 0.0124 0.3806 0.3916
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.7117 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0135 0.4295 0.5917
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0135 0.4295 0.5917
Brugia malayi AMP-binding enzyme family protein 0.0124 0.3806 0.3677
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0133 0.4229 0.4109
Mycobacterium ulcerans polyketide synthase 0.0133 0.4229 0.4065
Trypanosoma cruzi protein farnesyltransferase, putative 0.0135 0.4295 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0135 0.4295 0.5917
Mycobacterium ulcerans thioesterase TesA 0.0111 0.3155 0.2064
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0135 0.4295 0.5917
Mycobacterium ulcerans Type I modular polyketide synthase 0.0133 0.4229 0.4065
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0086 0.1965 0.392
Loa Loa (eye worm) hypothetical protein 0.0075 0.1395 0.1417
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0067 0.1042 0.1864
Loa Loa (eye worm) hypothetical protein 0.0193 0.7117 0.8222
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0133 0.4229 0.5702
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0133 0.4229 0.4065
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0199 0.7417 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0135 0.4295 0.5917
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0141 0.463 0.481
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0135 0.4295 0.5917
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.7117 0.7057
Mycobacterium ulcerans polyketide synthase 0.0141 0.463 0.481
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0107 0.297 0.172
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0141 0.463 0.481
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.7117 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0133 0.4229 0.5702

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.3 uM Inhibition of human recombinant FTase using farnesyl pyrophosphate by fluorimetry ChEMBL. No reference
IC50 (functional) = 13 uM Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei strain 93 assessed as parasite growth inhibition after 72 hrs by redox-sensitive dye (resazurin) fluorescence assay ChEMBL. No reference
IC50 (functional) = 31 uM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FcB1/Columbia assessed as parasite growth inhibition in human erythrocytes after 24 hrs by [3H]hypoxanthine incorporation assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense

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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