Detailed information for compound 1079950

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.535 | Formula: C25H32N2
  • H donors: 0 H acceptors: 0 LogP: 4.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC2(CC(C1C(C2)c1ccccc1)c1ccccc1)N1CCCC1
  • InChi: 1S/C25H32N2/c1-26-17-14-25(27-15-8-9-16-27)18-22(20-10-4-2-5-11-20)24(26)23(19-25)21-12-6-3-7-13-21/h2-7,10-13,22-24H,8-9,14-19H2,1H3
  • InChiKey: IEEUUMSWWJYKDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Brugia malayi Papain family cysteine protease containing protein 0.0130612 0.288023 0.967874
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Trypanosoma cruzi cysteine peptidase, putative 0.0130612 0.288023 0.969553
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00750565 0.0638948 0.0539153
Trypanosoma cruzi cysteine protease, putative 0.00750565 0.0638948 0.0522737
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Loa Loa (eye worm) hypothetical protein 0.00851575 0.104645 0.219052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0130612 0.288023 1
Brugia malayi Cathepsin L-like precursor 0.00851575 0.104645 0.175977
Brugia malayi Cathepsin L-like precursor 0.0130612 0.288023 0.967874
Echinococcus granulosus cathepsin L cysteine proteinase 0.0130612 0.288023 0.239426
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.00782731 0.0768712 0.108691
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0130612 0.288023 0.239426
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0132456 0.295462 1
Leishmania major cathepsin L-like protease 0.0130612 0.288023 0.249664
Onchocerca volvulus 0.0130612 0.288023 1
Echinococcus granulosus cathepsin l1 0.0130612 0.288023 0.239426
Toxoplasma gondii cathepsin CPL 0.0130612 0.288023 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0130612 0.288023 0.969553
Echinococcus multilocularis cathepsin b 0.0132456 0.295462 0.247373
Trypanosoma cruzi cysteine proteinase, putative 0.00750565 0.0638948 0.0522737
Leishmania major cysteine peptidase A (CPA) 0.0130612 0.288023 0.249664
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0130612 0.288023 0.239426
Toxoplasma gondii preprocathepsin c precursor, putative 0.010789 0.196354 0.681731
Trypanosoma cruzi cysteine proteinase, putative 0.00750565 0.0638948 0.0522737
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Toxoplasma gondii cathepsin CPC1 0.010789 0.196354 0.681731
Plasmodium vivax vivapain-3 0.00750565 0.0638948 0.221839
Echinococcus multilocularis cathepsin L cysteine protease 0.0130612 0.288023 0.239426
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0130612 0.288023 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.00851575 0.104645 0.175977
Brugia malayi Cathepsin L-like precursor 0.0130612 0.288023 0.967874
Plasmodium falciparum cysteine proteinase falcipain 1 0.00750565 0.0638948 0.221839
Leishmania major cathepsin L-like protease 0.0130612 0.288023 0.249664
Onchocerca volvulus Cathepsin L homolog 0.0130612 0.288023 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00851575 0.104645 0.225931
Echinococcus multilocularis cysteine protease 0.0130612 0.288023 0.239426
Loa Loa (eye worm) fibroinase 0.0130612 0.288023 0.969553
Trypanosoma cruzi cysteine peptidase, putative 0.0130612 0.288023 0.969553
Onchocerca volvulus 0.0130612 0.288023 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Brugia malayi cathepsin L-like precursor 0.00851575 0.104645 0.175977
Trypanosoma cruzi cysteine peptidase, putative 0.0130612 0.288023 0.969553
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0130612 0.288023 1
Plasmodium vivax vivapain-2 0.0130612 0.288023 1
Loa Loa (eye worm) cysteine protease 0.0130612 0.288023 0.969553
Plasmodium vivax vivapain-2 0.0130612 0.288023 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0130612 0.288023 0.239426
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.00750565 0.0638948 0.0522737
Onchocerca volvulus Cathepsin L homolog 0.0130612 0.288023 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.010789 0.196354 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00750565 0.0638948 0.0539153
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0132456 0.295462 1
Trypanosoma cruzi cysteine peptidase, putative 0.0130612 0.288023 0.969553
Brugia malayi Cathepsin L-like precursor 0.0130612 0.288023 0.967874
Echinococcus granulosus sodium channel protein 0.0307093 1 1
Echinococcus multilocularis cathepsin b 0.0132456 0.295462 0.247373
Brugia malayi Cathepsin L-like precursor 0.0130612 0.288023 0.967874
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0130612 0.288023 1
Entamoeba histolytica cysteine proteinase, putative 0.00851575 0.104645 0.181818
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Entamoeba histolytica cysteine protease, putative 0.0130612 0.288023 1
Leishmania major cathepsin L-like protease 0.0130612 0.288023 0.249664
Giardia lamblia Cathepsin B precursor 0.00718905 0.0511222 0.260358
Brugia malayi cathepsin B-like cysteine proteinase 0.0132456 0.295462 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0130612 0.288023 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.00750565 0.0638948 0.0522737
Loa Loa (eye worm) hypothetical protein 0.0130612 0.288023 0.969553
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0130612 0.288023 1
Giardia lamblia Cathepsin B precursor 0.00718905 0.0511222 0.260358
Onchocerca volvulus 0.0130612 0.288023 1
Onchocerca volvulus 0.0130612 0.288023 1
Onchocerca volvulus 0.0130612 0.288023 1
Giardia lamblia Cathepsin B precursor 0.00718905 0.0511222 0.260358
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0130612 0.288023 1
Toxoplasma gondii cathepsin B 0.00718905 0.0511222 0.177494
Echinococcus multilocularis cysteine protease 0.0130612 0.288023 0.239426
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0132456 0.295462 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0130612 0.288023 0.239426
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Trypanosoma cruzi cruzipain precursor, putative 0.0130612 0.288023 0.969553
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0307093 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.00750565 0.0638948 0.0522737
Leishmania major cathepsin L-like protease 0.0130612 0.288023 0.249664
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Plasmodium vivax unspecified product 0.00750565 0.0638948 0.221839
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0130612 0.288023 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.00750565 0.0638948 0.0522737
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0130612 0.288023 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0130612 0.288023 1
Loa Loa (eye worm) hypothetical protein 0.00851575 0.104645 0.219052
Echinococcus multilocularis sodium channel protein 0.0307093 1 1
Echinococcus granulosus cathepsin l1 0.00851575 0.104645 0.043532
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00750565 0.0638948 0.0539153
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0130612 0.288023 1
Loa Loa (eye worm) hypothetical protein 0.00851575 0.104645 0.219052
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0307093 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Leishmania major cathepsin L-like protease 0.0130612 0.288023 0.249664
Loa Loa (eye worm) hypothetical protein 0.0132456 0.295462 1
Echinococcus granulosus cathepsin b 0.0132456 0.295462 0.247373
Brugia malayi Cathepsin L-like precursor 0.00851575 0.104645 0.175977
Leishmania major cathepsin L-like protease 0.0130612 0.288023 0.249664
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0130612 0.288023 0.969553
Schistosoma mansoni cathepsin F (C01 family) 0.00851575 0.104645 0.219052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00750565 0.0638948 0.0539153
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0130612 0.288023 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0130612 0.288023 1
Echinococcus granulosus cathepsin b 0.0132456 0.295462 0.247373
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.010789 0.196354 0.681731
Onchocerca volvulus Cathepsin F homolog 0.0130612 0.288023 1
Leishmania major cathepsin L-like protease 0.0130612 0.288023 0.249664
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0132456 0.295462 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.010789 0.196354 0.594384
Onchocerca volvulus 0.0130612 0.288023 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00851575 0.104645 0.225931
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Plasmodium vivax vivapain-1 0.00750565 0.0638948 0.221839
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Entamoeba histolytica cysteine proteinase, putative 0.0130612 0.288023 1
Schistosoma mansoni cathepsin F (C01 family) 0.0130612 0.288023 0.969553
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.00750565 0.0638948 0.0522737
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Brugia malayi Cathepsin L-like precursor 0.0130612 0.288023 0.967874
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.010789 0.196354 0.681731
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0130612 0.288023 1
Brugia malayi Cathepsin L-like precursor 0.0130612 0.288023 0.967874
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.010789 0.196354 0.681731
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.010789 0.196354 0.681731
Schistosoma mansoni cathepsin F (C01 family) 0.0130612 0.288023 0.969553
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0130612 0.288023 1
Entamoeba histolytica cysteine proteinase, putative 0.0130612 0.288023 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.00851575 0.104645 0.219052
Onchocerca volvulus 0.0130612 0.288023 1
Loa Loa (eye worm) ctsf protein 0.0130612 0.288023 0.969553
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0132456 0.295462 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0130612 0.288023 1
Leishmania major cathepsin L-like protease 0.0130612 0.288023 0.249664

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.72 microM Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 by microplate assay ChEMBL. 19879671
IC50 (functional) = 1.86 microM Antiplasmodial activity against Trypanosoma brucei rhodesiense STIB 900 by microplate assay ChEMBL. 19879671

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 19879671
Trypanosoma brucei gambiense 19879671

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.