Detailed information for compound 820570

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 509.569 | Formula: C28H32FN3O5
  • H donors: 0 H acceptors: 2 LogP: 2.98 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(cc(c1OCCN1CCOCC1)OC)CN(C(=O)c1ccc(cc1)F)Cc1ccncc1
  • InChi: 1S/C28H32FN3O5/c1-34-25-17-22(18-26(35-2)27(25)37-16-13-31-11-14-36-15-12-31)20-32(19-21-7-9-30-10-8-21)28(33)23-3-5-24(29)6-4-23/h3-10,17-18H,11-16,19-20H2,1-2H3
  • InChiKey: LSOVOHUEDHSNSJ-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
Trichomonas vaginalis cyclin B, putative 0.0049 0.1503 0.2926
Trichomonas vaginalis cyclins, putative 0.0049 0.1503 0.2926
Loa Loa (eye worm) endoprotease bli-4 0.0155 1 1
Echinococcus multilocularis Furin 1 0.0037 0.053 0.0647
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0049 0.1503 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.053 0.1032
Trichomonas vaginalis cyclin A, putative 0.0049 0.1503 0.2926
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.053 0.1032
Echinococcus granulosus neuroendocrine convertase 2 0.0097 0.5393 0.5374
Loa Loa (eye worm) hypothetical protein 0.0049 0.1503 0.1468
Onchocerca volvulus 0.0049 0.1503 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0041 0.0079
Giardia lamblia G2/mitotic-specific cyclin B 0.0049 0.1503 0.6805
Schistosoma mansoni cyclins 0.0031 0.0041 0.0041
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.053 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.053 0.1032
Trichomonas vaginalis cyclin D, putative 0.0031 0.0041 0.0079
Trypanosoma cruzi cyclin, putative 0.0049 0.1503 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0049 0.1503 0.1468
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.053 0.1032
Trichomonas vaginalis cyclins, putative 0.0049 0.1503 0.2926
Giardia lamblia High cysteine membrane protein Group 2 0.0058 0.2209 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0049 0.1503 0.5
Entamoeba histolytica cyclin, putative 0.0049 0.1503 1
Echinococcus multilocularis cyclin B 0.0049 0.1503 0.1934
Echinococcus granulosus furin 0.0155 1 1
Echinococcus granulosus cyclin B 0.0049 0.1503 0.1468
Trichomonas vaginalis cyclin D, putative 0.0031 0.0041 0.0079
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0094 0.5137 0.5117
Trichomonas vaginalis cyclins, putative 0.0031 0.0041 0.0079
Trichomonas vaginalis cyclin B, putative 0.0049 0.1503 0.2926
Trichomonas vaginalis cyclin B, putative 0.0049 0.1503 0.2926
Brugia malayi Cyclin, N-terminal domain containing protein 0.0049 0.1503 0.1468
Trichomonas vaginalis cyclin B3, putative 0.0031 0.0041 0.0079
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0094 0.5137 1
Echinococcus multilocularis 0.0125 0.7602 1
Trichomonas vaginalis cyclins, putative 0.0049 0.1503 0.2926
Loa Loa (eye worm) proprotein convertase 2 0.0037 0.053 0.0491
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0155 1 1
Brugia malayi proprotein convertase 2 0.0097 0.5393 0.5374
Echinococcus granulosus Furin 1 0.0037 0.053 0.0491
Trypanosoma cruzi cyclin 6, putative 0.0049 0.1503 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0094 0.5137 1
Giardia lamblia Hypothetical protein 0.0031 0.0041 0.0185
Loa Loa (eye worm) hypothetical protein 0.0049 0.1503 0.1468
Brugia malayi neuroendocrine convertase 1 precursor 0.0097 0.5393 0.5374
Trichomonas vaginalis cyclin B, putative 0.0049 0.1503 0.2926
Echinococcus multilocularis neuroendocrine convertase 2 0.0097 0.5393 0.7079
Trypanosoma brucei mitotic cyclin 6 0.0049 0.1503 0.5
Trypanosoma cruzi cyclin, putative 0.0049 0.1503 0.5
Leishmania major cyclin 0.0049 0.1503 0.5
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0037 0.053 0.053
Giardia lamblia Cyclin A 0.0031 0.0041 0.0185
Loa Loa (eye worm) hypothetical protein 0.0155 1 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0094 0.5137 0.674
Brugia malayi celfurPC protein 0.0125 0.7602 0.7592
Schistosoma mansoni cyclin B3 0.0031 0.0041 0.0041
Schistosoma mansoni cyclin B 0.0049 0.1503 0.1503
Trichomonas vaginalis cyclin B, putative 0.0031 0.0041 0.0079
Trichomonas vaginalis cyclins, putative 0.0049 0.1503 0.2926
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.053 0.1032
Plasmodium falciparum cyclin 0.0031 0.0041 0.5
Schistosoma mansoni furin-1 (S08 family) 0.0067 0.2995 0.2995
Loa Loa (eye worm) hypothetical protein 0.0061 0.2465 0.2434

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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