Detailed information for compound 2077266

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 577.516 | Formula: C26H29F6N3O5
  • H donors: 2 H acceptors: 6 LogP: 2.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCN1C(=O)C(CC21CCN(CC2)Cc1cccnc1)c1ccccc1
  • InChi: 1S/C22H27N3O.2C2HF3O2/c1-2-25-21(26)20(19-8-4-3-5-9-19)15-22(25)10-13-24(14-11-22)17-18-7-6-12-23-16-18;2*3-2(4,5)1(6)7/h3-9,12,16,20H,2,10-11,13-15,17H2,1H3;2*(H,6,7)
  • InChiKey: RQGASZSYNMLXMQ-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
Trypanosoma brucei calpain-like protein, putative 0.0461 0.2223 0.8358
Trypanosoma cruzi kinesin, putative 0.0322 0.1267 0.1267
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0461 0.2223 0.2223
Echinococcus multilocularis cathepsin b 0.1587 1 1
Loa Loa (eye worm) calpain 0.0461 0.2223 0.2223
Loa Loa (eye worm) hypothetical protein 0.1221 0.7471 0.7471
Trypanosoma brucei calpain-like protein, putative 0.0461 0.2223 0.8358
Brugia malayi calpain family protein 1 0.1221 0.7471 0.7471
Schistosoma mansoni calpain-7 (C02 family) 0.0461 0.2223 0.2223
Loa Loa (eye worm) calpain 5 0.0322 0.1267 0.1267
Loa Loa (eye worm) hypothetical protein 0.1082 0.6515 0.6515
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0461 0.2223 0.8358
Loa Loa (eye worm) hypothetical protein 0.076 0.4292 0.4292
Loa Loa (eye worm) calpain family protein 1 0.1221 0.7471 0.7471
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.1221 0.7471 0.7471
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0461 0.2223 0.2223
Brugia malayi calpain 7 0.0461 0.2223 0.2223
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0524 0.266 0.266
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0461 0.2223 0.2223
Echinococcus granulosus cathepsin b 0.1587 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0461 0.2223 0.2223
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0461 0.2223 0.2223
Trypanosoma brucei cysteine peptidase C (CPC) 0.0524 0.266 1
Loa Loa (eye worm) cathepsin B 0.0524 0.266 0.266
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1587 1 1
Trypanosoma brucei calpain-like protein, putative 0.0461 0.2223 0.8358
Echinococcus multilocularis cathepsin b 0.1587 1 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0461 0.2223 0.2223
Trypanosoma cruzi kinesin, putative 0.0322 0.1267 0.1267
Giardia lamblia Cathepsin B precursor 0.0524 0.266 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0461 0.2223 0.2223
Schistosoma mansoni Mername-AA248 (C02 family) 0.0461 0.2223 0.2223
Giardia lamblia Cathepsin B precursor 0.0524 0.266 0.5
Entamoeba histolytica protein kinase, putative 0.0322 0.1267 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0461 0.2223 0.8358
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.1295 0.7983 0.7406
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0461 0.2223 0.8358
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0461 0.2223 0.2223
Entamoeba histolytica calpain large subunit domain III containing protein 0.0322 0.1267 1
Toxoplasma gondii cathepsin B 0.0524 0.266 1
Onchocerca volvulus 0.076 0.4292 0.5
Brugia malayi calpain family protein 1 0.1221 0.7471 0.7471
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1587 1 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1587 1 1
Brugia malayi calpain 5 0.0322 0.1267 0.1267
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0524 0.266 1
Leishmania major kinesin, putative 0.0322 0.1267 0.4765
Echinococcus granulosus cathepsin b 0.1587 1 1
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0461 0.2223 0.8358
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0461 0.2223 0.2223
Echinococcus multilocularis calpain A 0.1295 0.7984 0.7408
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1587 1 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0524 0.266 1
Trypanosoma brucei kinesin, putative 0.0322 0.1267 0.4765
Loa Loa (eye worm) hypothetical protein 0.1587 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1587 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0524 0.266 0.266
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.1295 0.7983 0.7983
Echinococcus granulosus calpain A 0.1295 0.7984 0.7408
Schistosoma mansoni calpain C (C02 family) 0.0461 0.2223 0.2223
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0461 0.2223 0.2223
Echinococcus multilocularis calpain family protein 1, d 0.0899 0.5248 0.3889
Giardia lamblia Cathepsin B precursor 0.0524 0.266 0.5
Loa Loa (eye worm) calpain family protein 1 0.0899 0.5248 0.5248
Schistosoma mansoni calpain-7 (C02 family) 0.0461 0.2223 0.2223
Trypanosoma brucei antigen, putative 0.0461 0.2223 0.8358
Trypanosoma brucei calpain-like protein, putative 0.0461 0.2223 0.8358
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.1295 0.7983 0.7406
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.1295 0.7983 0.7983
Schistosoma mansoni calpain (C02 family) 0.0461 0.2223 0.2223
Loa Loa (eye worm) hypothetical protein 0.0899 0.5248 0.5248
Plasmodium vivax calpain, putative 0.0461 0.2223 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0461 0.2223 0.8358
Plasmodium falciparum calpain 0.0138 0 0.5

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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