Detailed information for compound 1655153

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.416 | Formula: C21H22FN3O3
  • H donors: 2 H acceptors: 3 LogP: 3.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1nc2ccc(c(c2c(=O)n1C)O)C(=O)NCc1ccc(cc1)F
  • InChi: 1S/C21H22FN3O3/c1-3-4-5-17-24-16-11-10-15(19(26)18(16)21(28)25(17)2)20(27)23-12-13-6-8-14(22)9-7-13/h6-11,26H,3-5,12H2,1-2H3,(H,23,27)
  • InChiKey: AALWQMKSEZSHOZ-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
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0281 0.0966 0.5
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0281 0.0966 0.0966
Loa Loa (eye worm) fibroinase 0.0281 0.0966 0.0966
Onchocerca volvulus 0.0281 0.0966 0.5
Trypanosoma brucei cysteine peptidase C (CPC) 0.0506 0.2784 1
Echinococcus multilocularis cathepsin b 0.1399 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1399 1 1
Echinococcus multilocularis cathepsin b 0.1399 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1399 1 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1399 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1399 1 1
Brugia malayi Cathepsin L-like precursor 0.0281 0.0966 0.0966
Loa Loa (eye worm) hypothetical protein 0.1399 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0281 0.0966 0.0966
Echinococcus granulosus cathepsin b 0.1399 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0506 0.2784 0.2784
Loa Loa (eye worm) hypothetical protein 0.0281 0.0966 0.0966
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0281 0.0966 0.0966
Entamoeba histolytica cysteine proteinase, putative 0.0281 0.0966 0.5
Brugia malayi Cathepsin L-like precursor 0.0281 0.0966 0.0966
Loa Loa (eye worm) cysteine protease 0.0281 0.0966 0.0966
Onchocerca volvulus 0.0281 0.0966 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1399 1 1
Brugia malayi Cathepsin L-like precursor 0.0281 0.0966 0.0966
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0281 0.0966 0.0966
Plasmodium falciparum cysteine proteinase falcipain 3 0.0281 0.0966 0.5
Loa Loa (eye worm) hypothetical protein 0.0281 0.0966 0.0966
Brugia malayi Cathepsin L-like cysteine proteinase 0.0281 0.0966 0.0966
Toxoplasma gondii cathepsin B 0.0506 0.2784 1
Schistosoma mansoni cathepsin F (C01 family) 0.0281 0.0966 0.0966
Entamoeba histolytica cysteine proteinase, putative 0.0281 0.0966 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0281 0.0966 0.0966
Echinococcus multilocularis cathepsin L cysteine protease 0.0281 0.0966 0.0966
Plasmodium vivax vivapain-2 0.0281 0.0966 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0506 0.2784 0.2012
Brugia malayi cathepsin L-like precursor 0.0281 0.0966 0.0966
Onchocerca volvulus Cathepsin L homolog 0.0281 0.0966 0.5
Giardia lamblia Cathepsin B precursor 0.0506 0.2784 0.5
Onchocerca volvulus 0.0281 0.0966 0.5
Entamoeba histolytica cysteine protease, putative 0.0281 0.0966 0.5
Echinococcus granulosus cathepsin l1 0.0281 0.0966 0.0966
Onchocerca volvulus 0.0281 0.0966 0.5
Plasmodium vivax vivapain-2 0.0281 0.0966 0.5
Giardia lamblia Cathepsin B precursor 0.0506 0.2784 0.5
Onchocerca volvulus 0.0281 0.0966 0.5
Onchocerca volvulus Cathepsin F homolog 0.0281 0.0966 0.5
Loa Loa (eye worm) hypothetical protein 0.0281 0.0966 0.0966
Brugia malayi Papain family cysteine protease containing protein 0.0281 0.0966 0.0966
Echinococcus granulosus cathepsin l1 0.0281 0.0966 0.0966
Onchocerca volvulus 0.0281 0.0966 0.5
Brugia malayi Cathepsin L-like precursor 0.0281 0.0966 0.0966
Brugia malayi Cathepsin L-like precursor 0.0281 0.0966 0.0966
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0281 0.0966 0.5
Onchocerca volvulus Cathepsin L homolog 0.0281 0.0966 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0281 0.0966 0.0966
Onchocerca volvulus 0.0281 0.0966 0.5
Echinococcus multilocularis cysteine protease 0.0281 0.0966 0.0966
Giardia lamblia Cathepsin B precursor 0.0506 0.2784 0.5
Brugia malayi Cathepsin L-like precursor 0.0281 0.0966 0.0966
Echinococcus multilocularis cysteine protease 0.0281 0.0966 0.0966
Schistosoma mansoni cathepsin F (C01 family) 0.0281 0.0966 0.0966
Onchocerca volvulus 0.0281 0.0966 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.0281 0.0966 0.0966
Echinococcus granulosus cathepsin b 0.1399 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0281 0.0966 0.5
Loa Loa (eye worm) ctsf protein 0.0281 0.0966 0.0966
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0506 0.2784 1
Loa Loa (eye worm) hypothetical protein 0.0281 0.0966 0.0966
Loa Loa (eye worm) cathepsin B 0.0506 0.2784 0.2784
Brugia malayi Cathepsin L-like precursor 0.0281 0.0966 0.0966
Brugia malayi Cathepsin L-like precursor 0.0281 0.0966 0.0966
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0506 0.2784 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0281 0.0966 0.0966

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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