Detailed information for compound 2078388

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.335 | Formula: C17H26Cl2N6
  • H donors: 1 H acceptors: 2 LogP: 2.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1ncccc1CNCc1c(C)nn(c1Cl)C.Cl
  • InChi: 1S/C17H25ClN6.ClH/c1-13-15(16(18)23(3)21-13)12-19-11-14-5-4-6-20-17(14)24-9-7-22(2)8-10-24;/h4-6,19H,7-12H2,1-3H3;1H
  • InChiKey: JDCUGXJNKUIWHH-UHFFFAOYSA-N  


Substructure search Similarity search

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 Papain family cysteine protease containing protein 0.0044 0.0361 0.0563
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.013 0.6411 0.6411
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.013 0.6411 0.6411
Loa Loa (eye worm) hypothetical protein 0.0044 0.0361 0.0563
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0048 0.066 1
Onchocerca volvulus 0.0044 0.0361 1
Entamoeba histolytica cysteine proteinase, putative 0.0044 0.0361 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0044 0.0361 0.0361
Onchocerca volvulus 0.0044 0.0361 1
Brugia malayi Cathepsin L-like precursor 0.0044 0.0361 0.0563
Echinococcus granulosus cathepsin b 0.013 0.6411 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0048 0.066 1
Onchocerca volvulus 0.0044 0.0361 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0044 0.0361 0.0563
Loa Loa (eye worm) cathepsin B 0.0048 0.066 0.103
Echinococcus multilocularis cysteine protease 0.0044 0.0361 0.0563
Giardia lamblia Encystation-specific protease 0.0076 0.2606 0.2084
Entamoeba histolytica cysteine proteinase, putative 0.0044 0.0361 0.5
Toxoplasma gondii cathepsin B 0.0048 0.066 0.031
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0181 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.013 0.6411 1
Onchocerca volvulus Cathepsin F homolog 0.0044 0.0361 1
Loa Loa (eye worm) ctsf protein 0.0044 0.0361 0.0563
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0048 0.066 0.066
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0048 0.066 0.0495
Brugia malayi Cathepsin L-like precursor 0.0044 0.0361 0.0563
Onchocerca volvulus Cathepsin L homolog 0.0044 0.0361 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0181 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0044 0.0361 0.0563
Entamoeba histolytica cysteine protease, putative 0.0044 0.0361 0.5
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0076 0.2606 0.2329
Echinococcus multilocularis cathepsin b 0.013 0.6411 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0044 0.0361 0.0563
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0044 0.0361 0.0563
Brugia malayi cathepsin B-like cysteine proteinase 0.013 0.6411 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0117 0.5479 1
Brugia malayi Cathepsin L-like precursor 0.0044 0.0361 0.0563
Brugia malayi Cathepsin L-like precursor 0.0044 0.0361 0.0563
Echinococcus granulosus cathepsin l1 0.0044 0.0361 0.0563
Toxoplasma gondii cathepsin CPC2 0.0076 0.2606 0.2329
Loa Loa (eye worm) hypothetical protein 0.013 0.6411 1
Onchocerca volvulus Cathepsin L homolog 0.0044 0.0361 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0076 0.2606 0.2084
Loa Loa (eye worm) cysteine protease 0.0044 0.0361 0.0563
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.013 0.6411 0.6411
Onchocerca volvulus 0.0044 0.0361 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0044 0.0361 0.0563
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0048 0.066 0.0585
Onchocerca volvulus 0.0044 0.0361 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.013 0.6411 0.6411
Echinococcus multilocularis cathepsin L cysteine protease 0.0044 0.0361 0.0563
Echinococcus granulosus cathepsin b 0.013 0.6411 1
Brugia malayi Cathepsin L-like precursor 0.0044 0.0361 0.0563
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0181 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0044 0.0361 0.0563
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0181 1 1
Onchocerca volvulus 0.0044 0.0361 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0076 0.2606 0.2084
Toxoplasma gondii cathepsin CPC1 0.0181 1 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0181 1 1
Loa Loa (eye worm) fibroinase 0.0044 0.0361 0.0563
Echinococcus multilocularis cathepsin L cysteine protease 0.0044 0.0361 0.0563
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0076 0.2606 0.2329
Onchocerca volvulus 0.0044 0.0361 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0181 1 1
Echinococcus multilocularis cysteine protease 0.0044 0.0361 0.0563
Brugia malayi Cathepsin L-like precursor 0.0044 0.0361 0.0563
Echinococcus multilocularis cathepsin b 0.013 0.6411 1
Schistosoma mansoni cathepsin F (C01 family) 0.0044 0.0361 0.0361

Activities

No activities found for this compound.

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

No literature references available for this target.

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