Detailed information for compound 225465

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 504.367 | Formula: C26H19Cl2N5O2
  • H donors: 0 H acceptors: 4 LogP: 3.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1ccc(cc1)C(c1cncn1C)OCc1c(cc(c(=O)n1C)C#N)c1cccc(c1Cl)Cl
  • InChi: 1S/C26H19Cl2N5O2/c1-32-15-31-13-22(32)25(17-8-6-16(11-29)7-9-17)35-14-23-20(10-18(12-30)26(34)33(23)2)19-4-3-5-21(27)24(19)28/h3-10,13,15,25H,14H2,1-2H3
  • InChiKey: NMLGTGOKSLHKRQ-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, alpha Starlite/ChEMBL References
Homo sapiens protein geranylgeranyltransferase type I, beta subunit Starlite/ChEMBL References
Homo sapiens farnesyltransferase, CAAX box, beta References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis protein farnesyltransferase 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
Schistosoma japonicum ko:K05955 protein geranylgeranyltransferase type I, beta subunit [EC:2.5.1.59], putative Get druggable targets OG5_129786 All targets in OG5_129786
Theileria parva farnesyltransferase beta subunit, putative 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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
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
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein 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
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Plasmodium berghei protein farnesyltransferase subunit beta, 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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Neospora caninum hypothetical protein 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
Leishmania infantum farnesyltransferase beta subunit 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
Plasmodium knowlesi conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma brucei protein farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
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
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
Plasmodium falciparum 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
Echinococcus granulosus geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax conserved Plasmodium protein, unknown function 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
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
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 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
Echinococcus multilocularis protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica geranylgeranyl transferase beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 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
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Leishmania mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania major 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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 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
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_129786 All targets in OG5_129786
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
Leishmania braziliensis farnesyltransferase beta subunit 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_129786 All targets in OG5_129786
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Babesia bovis prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania donovani farnesyltransferase beta subunit 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
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis type I geranylgeranyltransferase 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
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Prenyltransferase Get druggable targets OG5_128081 All targets in OG5_128081
Neospora caninum protein farnesyltranstransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Brugia malayi Protein prenyltransferase alpha subunit repeat containing 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
Plasmodium knowlesi protein farnesyltransferase subunit beta, 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 subunit beta Get druggable targets OG5_128081 All targets in OG5_128081

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei protein farnesyltransferase beta subunit protein geranylgeranyltransferase type I, beta subunit 377 aa 361 aa 26.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.015 0.0241
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.015 0.2065
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0277 0.0728 0.0728
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1077 0.6239 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0277 0.0728 1
Echinococcus multilocularis dihydrofolate reductase 0.1623 1 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.015 0.0241
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1077 0.6239 1
Echinococcus multilocularis thymidylate synthase 0.0332 0.1109 0.1109
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.015 0.015
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1077 0.6239 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1623 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.1623 1 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.015 0.015
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.015 0.2065
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0277 0.0728 0.0728
Schistosoma mansoni dihydrofolate reductase 0.1623 1 1
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0277 0.0728 0.0728
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.015 0.2065
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1623 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1077 0.6239 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.015 0.2065
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0277 0.0728 0.0728
Loa Loa (eye worm) thymidylate synthase 0.0332 0.1109 0.1109
Brugia malayi thymidylate synthase 0.0332 0.1109 0.1109
Echinococcus granulosus thymidylate synthase 0.0332 0.1109 0.1109
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.015 0.015
Onchocerca volvulus 0.0332 0.1109 0.5
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1623 1 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.015 0.015
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.015 0.015
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0277 0.0728 0.0728
Chlamydia trachomatis dihydrofolate reductase 0.1623 1 0.5
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0277 0.0728 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0277 0.0728 0.0728
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0332 0.1109 0.1109
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1077 0.6239 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1077 0.6239 1
Echinococcus granulosus dihydrofolate reductase 0.1623 1 1
Brugia malayi Dihydrofolate reductase 0.1623 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.015 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.015 0.015

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) nM In vitro effective concentration of the compound against farnesyltransferase (FT); NA= Not active ChEMBL. 14592494
EC50 (binding) 0 nM In vitro effective concentration of the compound against farnesyltransferase (FT); NA= Not active ChEMBL. 14592494
F (ADMET) NA 0 % Oral bioavailability in monkey ChEMBL. 14592494
F (ADMET) = 38 % Oral bioavailability in dog ChEMBL. 14592494
IC50 (binding) = 6.1 nM In vitro inhibitory activity against farnesyltransferase (FT) ChEMBL. 14592494
IC50 (binding) = 6.1 nM In vitro inhibitory activity against farnesyltransferase (FT) ChEMBL. 14592494
IC50 (binding) = 2500 nM In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I ChEMBL. 14592494
IC50 (binding) = 2500 nM In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I ChEMBL. 14592494

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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