Detailed information for compound 1833138

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 520.022 | Formula: C28H30ClN5O3
  • H donors: 0 H acceptors: 4 LogP: 3.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc2c(c1)C(=Cc1c([C@H]2N2CCN(CC2)C(=O)OC(C)(C)C)nccc1)C(=O)c1cncn1C
  • InChi: 1S/C28H30ClN5O3/c1-28(2,3)37-27(36)34-12-10-33(11-13-34)25-20-8-7-19(29)15-21(20)22(14-18-6-5-9-31-24(18)25)26(35)23-16-30-17-32(23)4/h5-9,14-17,25H,10-13H2,1-4H3/t25-/m0/s1
  • InChiKey: WKBXBIQWDYKVIC-VWLOTQADSA-N  


Substructure search Similarity search

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
Entamoeba histolytica protein farnesyltransferase alpha subunit, 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
Echinococcus multilocularis protein farnesyltransferase alpha subunit 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
Giardia lamblia Rab geranylgeranyltransferase 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
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum hypothetical protein 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
Cryptosporidium hominis farnesyltransferase 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
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
Schistosoma mansoni protein farnesyltransferase alpha subunit 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
Trichomonas vaginalis protein farnesyltransferase 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
Plasmodium vivax prenyltransferase 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
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 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
Theileria parva hypothetical 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
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) TTK protein kinase 0.0404 0.4758 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0097 0.0817 0.1493
Leishmania major protein farnesyltransferase alpha subunit, putative 0.005 0.0206 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.0318 0.0668
Brugia malayi Heterochromatin protein 1 0.0162 0.1641 0.3449
Mycobacterium ulcerans esterase/lipase LipP 0.0044 0.0125 0.5
Echinococcus multilocularis snurportin 1 0.0362 0.4219 0.4219
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.2042 0.4138
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0044 0.0125 0.0263
Echinococcus granulosus chromobox protein 1 0.0162 0.1641 0.1641
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.005 0.0206 0.0176
Toxoplasma gondii ABC1 family protein 0.0044 0.0125 0.0894
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.2042 0.2042
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.4758 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0044 0.0125 0.0263
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0362 0.4219 0.8868
Schistosoma mansoni chromobox protein 0.0162 0.1641 0.1641
Loa Loa (eye worm) heterochromatin protein 1 0.0162 0.1641 0.3449
Loa Loa (eye worm) hypothetical protein 0.0044 0.0125 0.0263
Schistosoma mansoni hypothetical protein 0.0199 0.2127 0.2127
Brugia malayi beta-lactamase 0.0044 0.0125 0.0263
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.2042 0.4138
Loa Loa (eye worm) hypothetical protein 0.0059 0.0318 0.0668
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.2042 0.2042
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.2042 0.4033
Mycobacterium ulcerans lipase LipD 0.0044 0.0125 0.5
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0206 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0206 1
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.005 0.0206 0.1011
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.2042 0.4292
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0728 0.1302
Trypanosoma brucei hypothetical protein, conserved 0.0044 0.0125 0.6059
Giardia lamblia Kinase, TTK 0.0404 0.4758 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0125 0.0263
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0206 1
Mycobacterium ulcerans hypothetical protein 0.0044 0.0125 0.5
Brugia malayi chromobox protein homolog 3 0.0091 0.0728 0.153
Echinococcus multilocularis geminin 0.0199 0.2127 0.2127
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0404 0.4758 0.4758
Schistosoma mansoni hypothetical protein 0.0362 0.4219 0.4219
Mycobacterium leprae Probable lipase LipE 0.0044 0.0125 0.5
Brugia malayi beta-lactamase family protein 0.0044 0.0125 0.0263
Brugia malayi RNA, U transporter 1 0.0097 0.0804 0.169
Loa Loa (eye worm) hypothetical protein 0.0044 0.0125 0.0263
Trichomonas vaginalis chromobox protein, putative 0.0162 0.1641 0.3272
Echinococcus granulosus protein prenyltransferase alpha subunit 0.005 0.0206 0.0206
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0079 0.0167
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0044 0.0125 0.0125
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.2042 1
Mycobacterium ulcerans beta-lactamase 0.0044 0.0125 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0477 0.1002
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0404 0.4758 0.4758
Echinococcus multilocularis chromobox protein 1 0.0162 0.1641 0.1641
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0404 0.4758 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.0318 0.0668
Loa Loa (eye worm) hypothetical protein 0.0044 0.0125 0.0263
Loa Loa (eye worm) hypothetical protein 0.0193 0.2042 0.4292
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0044 0.0125 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0206 1
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.4758 1
Mycobacterium leprae conserved hypothetical protein 0.0044 0.0125 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.14 0.2751
Loa Loa (eye worm) hypothetical protein 0.0044 0.0125 0.0263
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0091 0.0728 0.1302
Brugia malayi Protein kinase domain containing protein 0.0404 0.4758 1
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.005 0.0206 0.1011
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.2042 0.2042
Schistosoma mansoni hypothetical protein 0.004 0.0079 0.0079
Echinococcus multilocularis beta LACTamase domain containing family member 0.0044 0.0125 0.0125
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.0206 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.0318 0.0668
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0279 0.3149 1
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0728 0.1302
Echinococcus granulosus chromobox protein 1 0.0162 0.1641 0.1641
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.005 0.0206 1
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0388 0.0568
Schistosoma mansoni hypothetical protein 0.0199 0.2127 0.2127
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.005 0.0206 0.0206
Brugia malayi beta-lactamase family protein 0.0044 0.0125 0.0263
Toxoplasma gondii hypothetical protein 0.005 0.0206 0.1475
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.005 0.0206 0.0434
Onchocerca volvulus 0.0071 0.0477 0.0759
Loa Loa (eye worm) hypothetical protein 0.004 0.0079 0.0167
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.005 0.0206 0.0206
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.005 0.0206 0.0434
Schistosoma mansoni chromobox protein 0.0162 0.1641 0.1641
Echinococcus multilocularis chromobox protein 1 0.0162 0.1641 0.1641
Loa Loa (eye worm) hypothetical protein 0.0044 0.0125 0.0263
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.005 0.0206 0.0206
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.2042 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0728 0.153
Loa Loa (eye worm) beta-lactamase 0.0044 0.0125 0.0263
Echinococcus granulosus beta LACTamase domain containing family member 0.0044 0.0125 0.0125
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.005 0.0206 0.0206
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.2042 1
Echinococcus granulosus snurportin 1 0.0362 0.4219 0.4219
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0388 0.0568
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0044 0.0125 0.0125
Trichomonas vaginalis chromobox protein, putative 0.0097 0.0817 0.1493
Trichomonas vaginalis chromobox protein, putative 0.0162 0.1641 0.3272
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0125 0.0613
Toxoplasma gondii hypothetical protein 0.0143 0.14 1
Trypanosoma brucei hypothetical protein, conserved 0.005 0.0206 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.2042 0.4292
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.2042 0.4138
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0206 1
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0404 0.4758 0.4758
Echinococcus granulosus geminin 0.0199 0.2127 0.2127
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.0206 1
Onchocerca volvulus 0.005 0.0206 0.0176
Trichomonas vaginalis chromobox protein, putative 0.0097 0.0817 0.1493

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 18 nM Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-CVLS ChEMBL. 24462667

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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