Detailed information for compound 943761

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.314 | Formula: C21H18Cl2N6
  • H donors: 3 H acceptors: 3 LogP: 5.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Nc1ccnc(n1)NCCNc1ccnc2c1ccc(c2)Cl
  • InChi: 1S/C21H18Cl2N6/c22-14-1-4-16(5-2-14)28-20-8-10-26-21(29-20)27-12-11-25-18-7-9-24-19-13-15(23)3-6-17(18)19/h1-10,13H,11-12H2,(H,24,25)(H2,26,27,28,29)
  • InChiKey: GQSSPBGEZWPQLM-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
Brugia malayi Rhodanese-like domain containing protein 0.0131073 0.808733 0.739333
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0145749 1 1
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0131073 0.808733 0.739333
Brugia malayi Rhodanese-like domain containing protein 0.0131073 0.808733 0.739333
Onchocerca volvulus 0.0131073 0.808733 0.5
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0145749 1 1
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0131073 0.808733 0.739333
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0131073 0.808733 0.739333
Loa Loa (eye worm) hypothetical protein 0.0131073 0.808733 0.739333
Leishmania major farnesyltransferase beta subunit 0.00894459 0.26624 0.5
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0145749 1 1
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0131073 0.808733 0.739333
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0131073 0.808733 0.739333
Onchocerca volvulus 0.0131073 0.808733 0.5
Plasmodium vivax farnesyltransferase beta subunit, putative 0.00894459 0.26624 0.26624
Entamoeba histolytica rodhanase-like domain containing protein 0.0131073 0.808733 0.739333
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0145749 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0118467 0.644452 0.515443
Entamoeba histolytica rodhanase-like domain containing protein 0.0131073 0.808733 0.739333
Trichomonas vaginalis cdc25c, putative 0.0131073 0.808733 0.739333
Loa Loa (eye worm) hypothetical protein 0.0131073 0.808733 0.739333
Toxoplasma gondii hypothetical protein 0.0118467 0.644452 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0145749 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.00894459 0.26624 0.5
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0131073 0.808733 0.739333
Trichomonas vaginalis cdc25b, putative 0.0131073 0.808733 0.739333
Trypanosoma brucei protein farnesyltransferase beta subunit 0.00894459 0.26624 0.5
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0131073 0.808733 0.739333
Loa Loa (eye worm) hypothetical protein 0.012012 0.665992 0.5448
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0145749 1 1
Onchocerca volvulus 0.0131073 0.808733 0.5
Loa Loa (eye worm) hypothetical protein 0.0145749 1 1
Loa Loa (eye worm) hypothetical protein 0.012012 0.665992 0.5448
Trichomonas vaginalis cdc25b, putative 0.0131073 0.808733 0.739333
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0145749 1 1
Onchocerca volvulus 0.0131073 0.808733 0.5
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0145749 1 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0131073 0.808733 0.739333
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0131073 0.808733 0.739333
Trypanosoma cruzi protein farnesyltransferase, putative 0.00894459 0.26624 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0145749 1 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0145749 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.0145749 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0145749 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.046 uM Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 assessed as inhibition of parasite growth after 72 hrs by parasite LDH release assay ChEMBL. 25462261

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 25462261

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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