Detailed information for compound 250441

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 606.737 | Formula: C25H23Br2ClN4O2
  • H donors: 0 H acceptors: 3 LogP: 3.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: [O-][n+]1ccc(cc1)CC(=O)N1CCN(CC1)[C@@H]1c2ncc(cc2CCc2c1c(Br)cc(c2)Cl)Br
  • InChi: 1S/C25H23Br2ClN4O2/c26-19-12-18-2-1-17-13-20(28)14-21(27)23(17)25(24(18)29-15-19)31-9-7-30(8-10-31)22(33)11-16-3-5-32(34)6-4-16/h3-6,12-15,25H,1-2,7-11H2/t25-/m0/s1
  • InChiKey: RKNQPYFCXGJISA-VWLOTQADSA-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
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase 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
Schistosoma mansoni protein farnesyltransferase alpha subunit 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
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/RAB geranylgeranyl transferase alpha subunit, putative 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
Plasmodium vivax prenyltransferase 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
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative 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
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum 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
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
Cryptosporidium parvum farnesyltransferase 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
Theileria parva hypothetical protein 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

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
Loa Loa (eye worm) hypothetical protein 0.0433 0.4172 1
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.1528 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.1528 0.3662
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.0672 0.4398
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1227 0.2633
Schistosoma mansoni lipoxygenase 0.0081 0.029 0.1896
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.1528 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2183 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2183 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1227 0.2633
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0135 0.0885 0.2488
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1227 0.2633
Toxoplasma gondii hypothetical protein 0.0143 0.0977 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.1528 0.4953
Leishmania major farnesyltransferase beta subunit 0.0135 0.0885 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1325 0.339
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0135 0.0885 0.2002
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.1528 0.3461
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2183 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.1528 1
Brugia malayi hypothetical protein 0.0433 0.4172 0.9465
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0135 0.0885 0.2121
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1227 0.2633
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1227 0.2633
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.1528 0.4953
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0135 0.0885 0.5791
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0135 0.0885 0.3849
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.1528 0.4953
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2183 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0961 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1227 0.2633
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1325 0.339
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0135 0.0885 0.5791
Trypanosoma cruzi protein farnesyltransferase, putative 0.0135 0.0885 0.5
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.1528 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.1528 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.1528 0.3662
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0003 0.0008
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1227 0.2633
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.1528 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.0977 0.0707
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0461 0.4489 0.5
Onchocerca volvulus 0.0433 0.4172 1
Brugia malayi Serotonin receptor 0.0454 0.4408 1
Trypanosoma brucei beta lactamase 0.0461 0.4489 1
Loa Loa (eye worm) hypothetical protein 0.0433 0.4172 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0252 0.2183 0.4949
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2183 1
Schistosoma mansoni lipoxygenase 0.0115 0.0672 0.4398
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2183 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0135 0.0885 0.5
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.1528 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 0.2183 0.5233

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) ND 0 nM Inhibition of anchorage-independent growth of NIH-H tumor cell lines in soft agar. ChEMBL. 9822558
IC50 (binding) > 95 nM Compound ability to inhibit the transfer of [3H]- farnesyl from Farnesyltransferase to H-Ras-CVLS, a process that is mediated by FPT ChEMBL. 9822558
IC50 (binding) > 95 nM Compound ability to inhibit the transfer of [3H]- farnesyl from Farnesyltransferase to H-Ras-CVLS, a process that is mediated by FPT ChEMBL. 9822558
IC50 (functional) = 2250 nM Inhibiting the farnesylation of H-ras proteins in COS-7 monkey cells transiently expressing H-ras[Val12]-CVLS in the whole cell assay. ChEMBL. 9822558
IC50 (functional) = 2250 nM Inhibiting the farnesylation of H-ras proteins in COS-7 monkey cells transiently expressing H-ras[Val12]-CVLS in the whole cell assay. ChEMBL. 9822558

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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