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  

Network

Hover on a compound node to display the structore

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
Brugia malayi Protein prenyltransferase alpha subunit repeat containing 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
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) prenyltransferase alpha subunit repeat containing 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
Schistosoma mansoni 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
Plasmodium knowlesi 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
Echinococcus multilocularis 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
Entamoeba histolytica 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
Echinococcus granulosus protein farnesyltransferase alpha subunit 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
Plasmodium vivax prenyltransferase 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
Loa Loa (eye worm) hypothetical protein 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
Cryptosporidium hominis farnesyltransferase 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, 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

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

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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