Detailed information for compound 421474

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.249 | Formula: C22H13Cl2NO4
  • H donors: 2 H acceptors: 3 LogP: 5.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)Nc1ccc(c2c1oc(cc2=O)c1ccccc1Cl)O
  • InChi: 1S/C22H13Cl2NO4/c23-13-7-5-12(6-8-13)22(28)25-16-9-10-17(26)20-18(27)11-19(29-21(16)20)14-3-1-2-4-15(14)24/h1-11,26H,(H,25,28)
  • InChiKey: ZKFFLIQZUSVOLA-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0413 0.4785 1
Trypanosoma brucei hypothetical protein, conserved 0.0183 0.0844 0.1556
Leishmania major lanosterol synthase, putative 0.0317 0.3142 0.6567
Loa Loa (eye worm) hypothetical protein 0.0718 1 1
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0183 0.0844 0.1764
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0183 0.0844 0.0844
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0413 0.4785 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0413 0.4785 0.4785
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0296 0.2789 0.2789
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0183 0.0844 0.1764
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0297 0.2799 0.585
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0183 0.0844 0.0844
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0183 0.0844 0.1556
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0297 0.2799 0.585
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0413 0.4785 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0183 0.0844 0.1556
Trypanosoma brucei lanosterol synthase 0.045 0.5423 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0413 0.4785 0.4718
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0183 0.0844 0.1556
Loa Loa (eye worm) hypothetical protein 0.0381 0.4242 0.4242
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0381 0.4242 0.4242
Trypanosoma cruzi protein farnesyltransferase, putative 0.0413 0.4785 0.8824
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0183 0.0844 0.1764
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0297 0.2799 0.585
Loa Loa (eye worm) hypothetical protein 0.0297 0.2799 0.2799
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0183 0.0844 0.0844
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0183 0.0844 0.0844
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0183 0.0844 0.1556
Schistosoma mansoni dopamine-beta-monooxygenase 0.0381 0.4242 0.4242
Trypanosoma cruzi hypothetical protein, conserved 0.0183 0.0844 0.1556
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0413 0.4785 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0193 0.1029 0.1029
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0297 0.2799 0.2799
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0296 0.2789 0.2789
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0413 0.4785 1
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0413 0.4785 0.4785
Plasmodium vivax conserved Plasmodium protein, unknown function 0.028 0.2504 0.5233
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0297 0.2799 0.585
Schistosoma mansoni peptidylglycine monooxygenase 0.0381 0.4242 0.4242
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0296 0.2789 0.2697
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.0196 0.0196
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0183 0.0844 0.1556
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0413 0.4785 1
Loa Loa (eye worm) acetyltransferase 0.0145 0.0196 0.0196
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.045 0.5423 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.0196 0.0196
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0297 0.2799 0.2799
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0413 0.4785 0.8824
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0297 0.2799 0.2799
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0718 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0297 0.2799 0.585
Giardia lamblia Rab geranylgeranyltransferase 0.0183 0.0844 0.1764
Toxoplasma gondii hypothetical protein 0.0183 0.0844 0.1764
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0296 0.2789 0.2789
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0296 0.2789 0.5829
Trypanosoma cruzi lanosterol synthase, putative 0.045 0.5423 1
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0718 1 1
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.0196 0.0196
Trypanosoma cruzi protein farnesyltransferase, putative 0.0413 0.4785 0.8824
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0183 0.0844 0.1764
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0296 0.2789 0.2789
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0413 0.4785 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0413 0.4785 0.4785
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0297 0.2799 0.2707
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0183 0.0844 0.1556
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0296 0.2789 0.5829
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0183 0.0844 0.0727
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0183 0.0844 0.0844
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0718 1 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0183 0.0844 0.0727
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0183 0.0844 0.1764
Giardia lamblia Rab geranylgeranyltransferase 0.0297 0.2799 0.585
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0413 0.4785 1
Trypanosoma cruzi lanosterol synthase, putative 0.045 0.5423 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0297 0.2799 0.2799
Giardia lamblia Prenyltransferase 0.0413 0.4785 1
Leishmania major farnesyltransferase beta subunit 0.0413 0.4785 1
Onchocerca volvulus 0.0183 0.0844 0.5
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0413 0.4785 0.4785
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0297 0.2799 0.585
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0413 0.4785 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0413 0.4785 1
Trypanosoma cruzi hypothetical protein, conserved 0.0183 0.0844 0.1556
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0296 0.2789 0.2789
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0188 0.0932 0.0932

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.6 uM Antiproliferative activity against MCF7 cells ChEMBL. 17123821
IC50 (functional) = 4.6 uM Antiproliferative activity against MCF7 cells ChEMBL. 17123821
IC50 (functional) = 5.5 uM Antiproliferative activity against ID8 cells ChEMBL. 17123821
IC50 (binding) = 417 uM Inhibition of CDK2/Cyclin A ChEMBL. 17123821
IC50 (binding) = 417 uM Inhibition of CDK2/Cyclin A ChEMBL. 17123821

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17123821

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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