Detailed information for compound 1721062

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 809.629 | Formula: C34H30F11N7O4
  • H donors: 6 H acceptors: 6 LogP: 2.53 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 3
  • SMILES: OC(=O)C(F)(F)F.NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)Nc1ccc(c(c1)C#Cc1c(F)c(F)nc(c1F)F)C#Cc1c(F)c(F)nc(c1F)F)N)N
  • InChi: 1S/C32H29F8N7O2.C2HF3O2/c33-23-19(24(34)28(38)46-27(23)37)11-8-16-7-10-18(15-17(16)9-12-20-25(35)29(39)47-30(40)26(20)36)45-32(49)22(43)6-2-4-14-44-31(48)21(42)5-1-3-13-41;3-2(4,5)1(6)7/h7,10,15,21-22H,1-6,13-14,41-43H2,(H,44,48)(H,45,49);(H,6,7)/t21-,22-;/m0./s1
  • InChiKey: PBDSNAKPVUSWOE-VROPFNGYSA-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 aminopeptidase N 0.0521 1 1
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0099 0.13 0.5387
Loa Loa (eye worm) hypothetical protein 0.0099 0.13 0.1463
Loa Loa (eye worm) TATA binding protein associated factor 0.0054 0.036 0.0405
Trypanosoma brucei Aminopeptidase M1, putative 0.0153 0.2413 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0153 0.2413 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0153 0.2413 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0054 0.036 0.0405
Loa Loa (eye worm) hypothetical protein 0.0054 0.036 0.0405
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0153 0.2413 0.2129
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0348 0.0348
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0348 0.0392
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0153 0.2413 0.2129
Echinococcus multilocularis aminopeptidase N 0.0521 1 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0099 0.13 0.4578
Brugia malayi hypothetical protein 0.0054 0.036 0.036
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0153 0.2413 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0153 0.2413 1
Brugia malayi TATA binding protein associated factor 0.0054 0.036 0.036
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0153 0.2413 0.2129
Loa Loa (eye worm) hypothetical protein 0.0099 0.13 0.1463
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0099 0.13 0.0975
Brugia malayi Peptidase family M1 containing protein 0.0054 0.036 0.036
Loa Loa (eye worm) peptidase family M1 containing protein 0.0421 0.7948 0.8943
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0153 0.2413 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0348 0.0348
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0054 0.036 0.1493
Trypanosoma cruzi aminopeptidase, putative 0.0153 0.2413 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.036 0.0405
Loa Loa (eye worm) aminopeptidase N 0.0153 0.2413 0.2715
Toxoplasma gondii aminopeptidase n, putative 0.0054 0.036 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0153 0.2413 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0153 0.2413 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0054 0.036 0.1493
Onchocerca volvulus 0.0153 0.2413 0.2129
Onchocerca volvulus 0.0521 1 1
Loa Loa (eye worm) hypothetical protein 0.0467 0.8887 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.6835 0.7691
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0054 0.036 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0348 0.0392
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0153 0.2413 1
Toxoplasma gondii aminopeptidase N protein 0.0054 0.036 0.5
Brugia malayi Peptidase family M1 containing protein 0.0153 0.2413 0.2413
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0153 0.2413 0.2129
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0153 0.2413 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0153 0.2413 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0054 0.036 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0153 0.2413 0.2129
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0153 0.2413 0.2129
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0054 0.036 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0153 0.2413 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0153 0.2413 0.2129
Entamoeba histolytica aminopeptidase, putative 0.0153 0.2413 0.5
Schistosoma mansoni aminopeptidase A (M01 family) 0.0054 0.036 0.1493
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0153 0.2413 0.2129
Brugia malayi hypothetical protein 0.0153 0.2413 0.2413
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0054 0.036 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0153 0.2413 0.2129
Toxoplasma gondii aminopeptidase N, putative 0.0054 0.036 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0153 0.2413 0.2129
Loa Loa (eye worm) hypothetical protein 0.0054 0.036 0.0405

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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