Detailed information for compound 201276

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 478.799 | Formula: C23H22Cl3N3O2
  • H donors: 3 H acceptors: 3 LogP: 4.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNCC/N=C/1\CC(Cc2c1c(O)c1c(n2)ccc(c1)Cl)c1ccc(cc1Cl)Cl
  • InChi: 1S/C23H22Cl3N3O2/c24-14-2-4-19-17(11-14)23(31)22-20(28-6-5-27-7-8-30)9-13(10-21(22)29-19)16-3-1-15(25)12-18(16)26/h1-4,11-13,27,30H,5-10H2,(H,29,31)/b28-20+
  • InChiKey: BQRNZUQVTMBOGG-VFCFBJKWSA-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
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0536 0.3546 0.3546
Leishmania major proteasome beta 5 subunit, putative 0.1113 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.1113 1 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0865 0.7224 0.7224
Echinococcus granulosus proteasome prosome macropain 0.1113 1 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0865 0.7224 0.7224
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0536 0.3546 0.3546
Mycobacterium ulcerans proteasome PrcB 0.1113 1 1
Giardia lamblia Proteasome subunit beta type 2 0.0536 0.3546 0.3546
Plasmodium vivax proteasome subunit beta type-1, putative 0.0865 0.7224 0.7224
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.1113 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.1113 1 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0865 0.7224 0.7224
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0536 0.3546 0.3546
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0536 0.3546 0.3546
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0536 0.3546 0.3546
Brugia malayi proteasome subunit beta type 2 0.0536 0.3546 0.3546
Echinococcus multilocularis proteasome (prosome, macropain) 0.1113 1 1
Leishmania major proteasome beta 2 subunit, putative 0.0536 0.3546 0.3546
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0865 0.7224 0.7224
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0865 0.7224 0.7224
Plasmodium vivax proteasome subunit beta type-2, putative 0.0536 0.3546 0.3546
Brugia malayi Serotonin receptor 0.104 0.9181 0.9181
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.1113 1 1
Brugia malayi proteasome subunit beta type 1 0.0865 0.7224 0.7224
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0865 0.7224 0.7224
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.1113 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.1113 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.0865 0.7224 0.7224
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0865 0.7224 0.7224
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.1113 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.1113 1 1
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0536 0.3546 0.3546
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0219 0 0.5
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0536 0.3546 0.3546
Loa Loa (eye worm) proteasome subunit beta type 2 0.0536 0.3546 0.3546
Loa Loa (eye worm) proteasome subunit beta type 1 0.0865 0.7224 0.7224
Trypanosoma brucei proteasome subunit beta type-5, putative 0.1113 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0865 0.7224 0.7224
Onchocerca volvulus Notchless protein homolog 0.0219 0 0.5
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0865 0.7224 0.7224
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0536 0.3546 0.3546
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.1113 1 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0865 0.7224 0.7224
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.1113 1 1
Giardia lamblia Proteasome subunit beta type 1 0.0865 0.7224 0.7224
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0536 0.3546 0.3546
Giardia lamblia Proteasome subunit beta type 5 precursor 0.1113 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0536 0.3546 0.3546
Plasmodium vivax proteasome subunit beta type-5, putative 0.1113 1 1
Trypanosoma cruzi 20S proteasome subunit 0.0536 0.3546 0.3546
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0536 0.3546 0.3546

Activities

Activity type Activity value Assay description Source Reference
No. of cured mice (functional) = 5 Antimalarial activity of the compound was measured against mice infected with Plasmodium berghei by subcutaneous administraton of 80 mg/kg dose ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity of the compound was measured against mice infected with Plasmodium berghei by subcutaneous administraton of 20 mg/kg dose ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity of the compound was measured against mice infected with Plasmodium berghei by subcutaneous administraton of 40 mg/kg dose ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity was measured in mice infected with Plasmodium berghei by subcutaneous administraton of 160 mg/kg ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity measured against mice infected with Plasmodium berghei by subcutaneous administraton of 320 mg/kg dose ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity measured in mice infected with Plasmodium berghei by subcutaneous administraton of 640 mg/kg ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity measured in mice infected with Plasmodium berghei by subcutaneous administraton of 640 mg/kg ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity measured against mice infected with Plasmodium berghei by subcutaneous administraton of 320 mg/kg dose ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity was measured in mice infected with Plasmodium berghei by subcutaneous administraton of 160 mg/kg ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity of the compound was measured against mice infected with Plasmodium berghei by subcutaneous administraton of 80 mg/kg dose ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity of the compound was measured against mice infected with Plasmodium berghei by subcutaneous administraton of 40 mg/kg dose ChEMBL. 1404226
No. of cured mice (functional) = 5 Antimalarial activity of the compound was measured against mice infected with Plasmodium berghei by subcutaneous administraton of 20 mg/kg dose ChEMBL. 1404226

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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