Detailed information for compound 1853632

Basic information

Technical information
  • TDR Targets ID: 1853632
  • Name: 2-[2-[2-[(2-chlorophenyl)methoxy]phenyl]ethen yl]quinolin-8-ol
  • MW: 387.858 | Formula: C24H18ClNO2
  • H donors: 1 H acceptors: 2 LogP: 6.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1COc1ccccc1/C=C/c1ccc2c(n1)c(O)ccc2
  • InChi: 1S/C24H18ClNO2/c25-21-9-3-1-7-19(21)16-28-23-11-4-2-6-17(23)12-14-20-15-13-18-8-5-10-22(27)24(18)26-20/h1-15,27H,16H2/b14-12+
  • InChiKey: KNCKGFQSMLPZLS-WYMLVPIESA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(E)-2-[2-[(2-chlorophenyl)methoxy]phenyl]ethenyl]quinolin-8-ol
  • 2-[2-[2-[(2-chlorophenyl)methoxy]phenyl]vinyl]quinolin-8-ol
  • 2-[(E)-2-[2-[(2-chlorophenyl)methoxy]phenyl]vinyl]quinolin-8-ol
  • 2-[2-[2-[(2-chlorophenyl)methoxy]phenyl]vinyl]-8-quinolinol
  • 2-[(E)-2-[2-[(2-chlorophenyl)methoxy]phenyl]vinyl]-8-quinolinol
  • 2-[(E)-2-[2-(2-chlorobenzyl)oxyphenyl]vinyl]quinolin-8-ol
  • 2-[2-[2-(2-chlorobenzyl)oxyphenyl]vinyl]quinolin-8-ol
  • ZINC04631163
  • STK326175
  • AN-655/14613005

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Cryptosporidium hominis farnesyltransferase 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
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 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
Loa Loa (eye worm) hypothetical protein 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
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
Giardia lamblia Rab geranylgeranyltransferase 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
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 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
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
Toxoplasma gondii hypothetical protein 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
Neospora caninum hypothetical 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
Theileria parva 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
Plasmodium falciparum protein farnesyltransferase subunit alpha 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
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
Leishmania major protein farnesyltransferase alpha subunit, putative 0.005 0.1591 0.5
Mycobacterium ulcerans polyketide synthase 0.0079 0.332 0.6357
Toxoplasma gondii hypothetical protein 0.0143 0.7057 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.1591 0.5
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 1 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.005 0.1591 0.5
Mycobacterium tuberculosis Probable thioesterase TesA 0.0062 0.2313 0.443
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0079 0.332 0.6357
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0075 0.3046 0.581
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.006 0.2187 0.4188
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.005 0.1591 0.0551
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 1 1
Mycobacterium leprae Polyketide synthase Pks13 0.0112 0.5222 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0049 0.1556 0.2941
Loa Loa (eye worm) hypothetical protein 0.0053 0.1777 0.1186
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1777 0.1777
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.1323 0.0732
Giardia lamblia Rab geranylgeranyltransferase 0.0193 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.005 0.1591 0.0873
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0079 0.332 0.6357
Mycobacterium leprae Probable polyketide synthase Pks1 0.0079 0.332 0.6337
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0075 0.3046 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0061 0.2245 0.4299
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.1591 0.5
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.005 0.1591 0.0987
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0075 0.3046 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0079 0.332 0.6357
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.1323 0.0732
Toxoplasma gondii hypothetical protein 0.005 0.1591 0.1164
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.7492 0.7109
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0075 0.3046 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.003 0.0426 0.0817
Loa Loa (eye worm) AMP-binding enzyme family protein 0.007 0.2757 0.2237
Mycobacterium ulcerans Type I modular polyketide synthase 0.0075 0.3046 0.5834
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1777 0.1777
Mycobacterium ulcerans polyketide synthase Pks13 0.0112 0.5222 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0079 0.332 0.6337
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.006 0.2187 0.4188
Brugia malayi AMP-binding enzyme family protein 0.007 0.2757 0.2757
Loa Loa (eye worm) hypothetical protein 0.0193 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0787 0.0787
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 1 1
Onchocerca volvulus 0.013 0.6304 0.9452
Onchocerca volvulus 0.007 0.2757 0.234
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.005 0.1591 0.0308
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0042 0.1148 0.2199
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.005 0.1591 0.0308
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0075 0.3046 0.5834
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.1591 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0155 0.7747 0.732
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0072 0.2912 0.5576
Giardia lamblia Rab geranylgeranyltransferase 0.005 0.1591 0.0551
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0026 0.016 0.0306
Mycobacterium ulcerans thioesterase 0.0062 0.2313 0.443
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1777 0.1186
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.1591 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.005 0.1591 0.0308
Toxoplasma gondii type I fatty acid synthase, putative 0.0079 0.332 0.3959
Loa Loa (eye worm) acetyltransferase 0.0155 0.7747 0.7585
Mycobacterium ulcerans polyketide synthase 0.0075 0.3046 0.5834
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.005 0.1591 0.1591
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.007 0.2757 0.528
Loa Loa (eye worm) hypothetical protein 0.0042 0.1112 0.0474
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0054 0.1808 0.3461
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0079 0.332 0.6337
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0079 0.332 0.6357
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.7057 0.6608
Loa Loa (eye worm) hypothetical protein 0.0126 0.6037 0.5753
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 1 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0112 0.5222 1
Loa Loa (eye worm) fatty acid synthase 0.0074 0.2988 0.2484
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.006 0.2187 0.4155
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0072 0.2912 0.5576
Echinococcus granulosus protein prenyltransferase alpha subunit 0.005 0.1591 0.0308
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0075 0.3046 0.5834
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0075 0.3046 0.581
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0155 0.7747 0.7554
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0075 0.3046 0.3046
Loa Loa (eye worm) hypothetical protein 0.0036 0.0787 0.0125
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.005 0.1591 0.5
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.1591 0.5
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0142 0.6985 0.6985
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0112 0.5222 1
Mycobacterium ulcerans polyketide synthase Pks9 0.0049 0.1556 0.2981
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0062 0.2313 0.4398
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0079 0.332 0.6357
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.005 0.1591 0.0551
Mycobacterium ulcerans fatty acid synthase Fas 0.0023 0.0029 0.0056
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0023 0.0029 0.0056
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.1591 0.5
Onchocerca volvulus Fatty acid synthase homolog 0.0135 0.6577 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0053 0.1779 0.1468
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0049 0.1556 0.2981
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0075 0.3046 0.5834
Trypanosoma brucei hypothetical protein, conserved 0.005 0.1591 0.5
Mycobacterium ulcerans thioesterase TesA 0.0062 0.2313 0.443
Brugia malayi acetyltransferase, GNAT family protein 0.0155 0.7747 0.7747
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0048 0.1501 0.1019

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0119 uM Inhibition of human FTase using farnesyl pyrophosphate as substrate by fluorescent assay ChEMBL. No reference
IC50 (functional) > 100 uM Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay ChEMBL. No reference

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

No literature references available for this target.

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