Detailed information for compound 1056510

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.408 | Formula: C19H23F3N4
  • H donors: 1 H acceptors: 2 LogP: 2.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCC(CC1)NC(c1cnccn1)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C19H23F3N4/c1-2-26-11-7-16(8-12-26)25-18(17-13-23-9-10-24-17)14-3-5-15(6-4-14)19(20,21)22/h3-6,9-10,13,16,18,25H,2,7-8,11-12H2,1H3
  • InChiKey: QCIGKPBSWYHWEW-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
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0189 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0133 0.6812 0.6812
Loa Loa (eye worm) AUR protein kinase 0.0065 0.2887 0.2887
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0041 0.1559 0.1559
Entamoeba histolytica protein kinase, putative 0.0065 0.2887 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Echinococcus multilocularis aurora kinase A 0.0065 0.2887 0.2887
Loa Loa (eye worm) hypothetical protein 0.0189 1 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0065 0.2887 1
Toxoplasma gondii aurora kinase 0.0065 0.2887 0.4239
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0041 0.1559 0.54
Trypanosoma brucei prolyl endopeptidase 0.0133 0.6812 1
Schistosoma mansoni protein kinase 0.0065 0.2887 0.2887
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0053 0.2228 0.3271
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0065 0.2887 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0065 0.2887 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1559 0.54
Loa Loa (eye worm) hypothetical protein 0.0189 1 1
Leishmania major protein kinase, putative 0.0065 0.2887 0.4239
Giardia lamblia Serine peptidase, putative 0.0041 0.1559 0.54
Entamoeba histolytica protein kinase domain containing protein 0.0065 0.2887 1
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0119 0.6014 1
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0041 0.1559 0.54
Echinococcus granulosus prolyl endopeptidase 0.0133 0.6812 0.6812
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0053 0.2228 0.5
Entamoeba histolytica protein kinase, putative 0.0065 0.2887 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Brugia malayi serine/threonine kinase 12 0.0065 0.2887 0.2887
Brugia malayi Serine protease Z688.6 precursor 0.0041 0.1559 0.1559
Giardia lamblia Aurora kinase 0.0065 0.2887 1
Brugia malayi prolyl oligopeptidase family protein 0.0133 0.6812 0.6812
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0041 0.1559 0.1559
Echinococcus multilocularis prolyl endopeptidase 0.0133 0.6812 0.6812
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0065 0.2887 1
Trichomonas vaginalis AGC family protein kinase 0.0065 0.2887 1
Trichomonas vaginalis AGC family protein kinase 0.0065 0.2887 1
Loa Loa (eye worm) hypothetical protein 0.0189 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1559 0.54
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0053 0.2228 0.3271
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0065 0.2887 0.2887
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0041 0.1559 0.54
Trypanosoma cruzi prolyl endopeptidase 0.0133 0.6812 1
Trypanosoma brucei oligopeptidase b 0.0053 0.2228 0.3271
Toxoplasma gondii prolyl endopeptidase 0.0133 0.6812 1
Brugia malayi serine/threonine-protein kinase 6 0.0065 0.2887 0.2887
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0065 0.2887 1
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0041 0.1559 0.54
Trichomonas vaginalis AGC family protein kinase 0.0065 0.2887 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Trypanosoma brucei prolyl oligopeptidase, putative 0.0053 0.2228 0.3271
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0065 0.2887 0.2887
Loa Loa (eye worm) AUR protein kinase 0.0065 0.2887 0.2887
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0041 0.1559 0.1559
Trichomonas vaginalis AGC family protein kinase 0.0065 0.2887 1
Trypanosoma cruzi putative prolyl carboxypeptidase, putative 0.0041 0.1559 0.2289
Loa Loa (eye worm) hypothetical protein 0.0041 0.1559 0.1559
Trypanosoma cruzi serine carboxypeptidase S28, putative 0.0041 0.1559 0.2289
Brugia malayi serine/threonine protein kinase 6 0.0065 0.2887 0.2887
Onchocerca volvulus Prolyl endopeptidase homolog 0.0133 0.6812 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0053 0.2228 0.5
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0133 0.6812 1
Trypanosoma cruzi oligopeptidase b 0.0053 0.2228 0.3271
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0189 1 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.0189 1 1
Echinococcus granulosus aurora kinase A 0.0065 0.2887 0.2887
Trypanosoma cruzi aurora B kinase, putative 0.0065 0.2887 0.4239
Toxoplasma gondii serine carboxypeptidase s28 protein 0.0041 0.1559 0.2289
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Trypanosoma cruzi oligopeptidase b 0.0053 0.2228 0.3271
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0133 0.6812 0.6812
Trichomonas vaginalis lysosomal pro-X carboxypeptidase, putative 0.0041 0.1559 0.54
Trypanosoma cruzi serine carboxypeptidase S28, putative 0.0041 0.1559 0.2289
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0053 0.2228 0.3271
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0053 0.2228 0.3271
Giardia lamblia Thymus-specific serine protease precursor 0.0041 0.1559 0.54
Brugia malayi Serine protease Z688.6 precursor 0.0041 0.1559 0.1559
Onchocerca volvulus 0.0041 0.1559 0.2289
Loa Loa (eye worm) hypothetical protein 0.0133 0.6812 0.6812
Entamoeba histolytica protein kinase , putative 0.0065 0.2887 1
Trypanosoma brucei aurora B kinase 0.0065 0.2887 0.4239
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0041 0.1559 0.54
Leishmania major oligopeptidase b 0.0053 0.2228 0.3271
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0041 0.1559 0.54
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.2887 0.2887
Loa Loa (eye worm) AUR protein kinase 0.0065 0.2887 0.2887

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 1 uM DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro. ChEMBL. No reference
IC90 (functional) > 1 uM DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi ChEMBL23

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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