Detailed information for compound 226899

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.941 | Formula: C26H24ClN3O
  • H donors: 0 H acceptors: 3 LogP: 3.64 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)Cc2ccncc2)cccn1
  • InChi: 1S/C26H24ClN3O/c27-21-4-5-22-20(17-21)3-6-24-23(2-1-11-29-24)26(22)19-9-14-30(15-10-19)25(31)16-18-7-12-28-13-8-18/h1-2,4-5,7-8,11-13,17H,3,6,9-10,14-16H2
  • InChiKey: HZZFVWTWOSZHDU-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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative 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
Neospora caninum 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 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
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
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Theileria parva hypothetical 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
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein 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
Loa Loa (eye worm) prenyltransferase alpha subunit repeat 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
Cryptosporidium hominis farnesyltransferase 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
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 Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium parvum farnesyltransferase 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
Plasmodium berghei protein farnesyltransferase subunit alpha, 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
Trypanosoma cruzi AMP deaminase, putative 0.4064 0.5989 1
Trypanosoma cruzi AMP deaminase, putative 0.4064 0.5989 1
Loa Loa (eye worm) hypothetical protein 0.3973 0.5848 0.5848
Echinococcus multilocularis AMP deaminase 2 0.4064 0.5989 0.5989
Plasmodium falciparum AMP deaminase, putative 0.4064 0.5989 0.5989
Mycobacterium ulcerans adenosine deaminase 0.6657 1 0.5
Plasmodium falciparum adenosine deaminase 0.6657 1 1
Trypanosoma cruzi AMP deaminase, putative 0.4064 0.5989 1
Onchocerca volvulus Adenosine deaminase homolog 0.6657 1 1
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.4064 0.5989 1
Schistosoma mansoni adenosine deaminase 0.6657 1 1
Entamoeba histolytica adenosine deaminase, putative 0.6657 1 1
Schistosoma mansoni adenosine deaminase-related 0.6657 1 1
Trypanosoma brucei AMP deaminase, putative 0.4064 0.5989 0.5
Trypanosoma cruzi AMP deaminase, putative 0.4064 0.5989 1
Leishmania major adenine aminohydrolase 0.6657 1 1
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.4064 0.5989 0.3474
Echinococcus granulosus adenosine deaminase 0.6657 1 1
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.4064 0.5989 1
Trypanosoma brucei AMP deaminase, putative 0.4064 0.5989 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.6657 1 1
Entamoeba histolytica AMP deaminase, putative 0.4064 0.5989 0.5989
Echinococcus granulosus AMP deaminase 2 0.4064 0.5989 0.5989
Schistosoma mansoni AMP deaminase 0.4064 0.5989 0.5989
Loa Loa (eye worm) hypothetical protein 0.3973 0.5848 0.5848
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.4064 0.5989 0.3474
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.4064 0.5989 0.3474
Loa Loa (eye worm) hypothetical protein 0.3973 0.5848 0.5848
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.6657 1 1
Loa Loa (eye worm) hypothetical protein 0.138 0.1837 0.1837
Echinococcus multilocularis adenosine deaminase 0.6657 1 1
Loa Loa (eye worm) hypothetical protein 0.6657 1 1
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.4064 0.5989 0.5
Loa Loa (eye worm) AMP deaminase 0.4064 0.5989 0.5989
Brugia malayi adenosine monophosphate deaminase 0.4064 0.5989 0.5989
Entamoeba histolytica AMP deaminase, putative 0.4064 0.5989 0.5989
Trypanosoma cruzi AMP deaminase, putative 0.4064 0.5989 1
Leishmania major AMP deaminase, putative 0.4064 0.5989 0.3474
Plasmodium vivax adenosine/AMP deaminase, putative 0.4064 0.5989 0.5989
Trichomonas vaginalis adenosine deaminase, putative 0.6657 1 1
Onchocerca volvulus AMP deaminase 2 homolog 0.4064 0.5989 0.3474
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.6657 1 1
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.6657 1 0.5
Entamoeba histolytica adenosine deaminase, putative 0.6657 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0 0.5
Trypanosoma brucei AMP deaminase, putative 0.4064 0.5989 0.5
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.6657 1 0.5
Loa Loa (eye worm) hypothetical protein 0.2684 0.3854 0.3854
Plasmodium vivax adenosine deaminase, putative 0.6657 1 1
Treponema pallidum adenosine deaminase 0.6657 1 0.5
Loa Loa (eye worm) hypothetical protein 0.3973 0.5848 0.5848

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.3 uM Inhibitory activity against recombinant human farnesyltransferase ChEMBL. 9406600
IC50 (binding) = 2.3 uM Inhibitory activity against recombinant human farnesyltransferase ChEMBL. 9406600

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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