Detailed information for compound 1873137

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 614.731 | Formula: C35H42N4O6
  • H donors: 2 H acceptors: 3 LogP: 4.28 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(c(c1)OC)NC(=O)N(C[C@H]1OCc2ccccc2c2c(C(=O)N(C[C@H]1C)[C@H](CO)C)n(c1c2cccc1)C)C
  • InChi: 1S/C35H42N4O6/c1-22-18-39(23(2)20-40)34(41)33-32(27-13-9-10-14-29(27)38(33)4)26-12-8-7-11-24(26)21-45-31(22)19-37(3)35(42)36-28-16-15-25(43-5)17-30(28)44-6/h7-17,22-23,31,40H,18-21H2,1-6H3,(H,36,42)/t22-,23+,31-/m1/s1
  • InChiKey: NTGYADANNGAILP-IKBQMQIHSA-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 serine peptidase, clan SC, family S9A-like protein 0.0821 0.0701 0.1162
Entamoeba histolytica prolyl oligopeptidase family protein 0.0821 0.0701 1
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0821 0.0701 0.0591
Toxoplasma gondii prolyl endopeptidase 0.0821 0.0701 0.1516
Brugia malayi prolyl oligopeptidase family protein 0.0821 0.0701 0.0701
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.4436 0.5144 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.4436 0.5144 1
Chlamydia trachomatis aminopeptidase P 0.0448 0.0243 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0821 0.0701 1
Echinococcus granulosus prolyl endopeptidase 0.0821 0.0701 0.0591
Entamoeba histolytica prolyl oligopeptidase family protein 0.0821 0.0701 1
Brugia malayi metallopeptidase family M24 containing protein 0.0814 0.0693 0.0693
Onchocerca volvulus Prolyl endopeptidase homolog 0.0821 0.0701 0.0591
Giardia lamblia Alanyl dipeptidyl peptidase 0.0821 0.0701 1
Brugia malayi prolyl oligopeptidase family protein 0.0821 0.0701 0.0701
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0821 0.0701 0.1162
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0409 0.0195 0.008
Loa Loa (eye worm) prolyl oligopeptidase 0.8387 1 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0821 0.0701 1
Mycobacterium tuberculosis Probable peptidase 0.0821 0.0701 1
Trypanosoma cruzi oligopeptidase b 0.0821 0.0701 0.1162
Echinococcus granulosus acylamino acid releasing enzyme 0.0821 0.0701 0.0591
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0821 0.0701 0.0591
Brugia malayi prolyl oligopeptidase family protein 0.0821 0.0701 0.0701
Trypanosoma cruzi hypothetical protein, conserved 0.0821 0.0701 0.1162
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.4436 0.5144 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0821 0.0701 1
Entamoeba histolytica aminopeptidase, putative 0.0814 0.0693 0.9861
Trypanosoma brucei prolyl oligopeptidase, putative 0.0821 0.0701 0.1162
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0821 0.0701 0.0591
Echinococcus granulosus xaa pro aminopeptidase 0.0814 0.0693 0.0583
Onchocerca volvulus 0.0448 0.0243 0.0127
Echinococcus multilocularis acylamino acid releasing enzyme 0.0821 0.0701 0.0591
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0821 0.0701 0.1162
Loa Loa (eye worm) hypothetical protein 0.0821 0.0701 0.0591
Brugia malayi prolyl oligopeptidase family protein 0.4436 0.5144 0.5144
Loa Loa (eye worm) hypothetical protein 0.0593 0.0421 0.0307
Echinococcus granulosus Dipeptidyl peptidase 9 0.4436 0.5144 0.5086
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0821 0.0701 1
Entamoeba histolytica hypothetical protein, conserved 0.0814 0.0693 0.986
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0814 0.0693 0.1146
Loa Loa (eye worm) prolyl oligopeptidase 0.0821 0.0701 0.0591
Echinococcus multilocularis prolyl endopeptidase 0.0821 0.0701 0.0591
Brugia malayi hypothetical protein 0.2661 0.2963 0.2963
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0821 0.0701 0.1162
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.3482 0.3972 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.4436 0.5144 0.5086
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0814 0.0693 0.1146
Plasmodium vivax hypothetical protein, conserved 0.0821 0.0701 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.8387 1 1
Trypanosoma brucei prolyl endopeptidase 0.0821 0.0701 0.1162
Echinococcus multilocularis Dipeptidyl peptidase 9 0.4436 0.5144 0.5086
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.8387 1 1
Trypanosoma cruzi aminopeptidase P1, putative 0.0814 0.0693 0.1146
Plasmodium falciparum peptidase, putative 0.0821 0.0701 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.8387 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0821 0.0701 0.0591
Loa Loa (eye worm) hypothetical protein 0.0821 0.0701 0.0591
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0821 0.0701 1
Brugia malayi metallopeptidase family M24 containing protein 0.0345 0.0117 0.0117
Trypanosoma cruzi hypothetical protein, conserved 0.0821 0.0701 0.1162
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0814 0.0693 0.1146
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0821 0.0701 0.1516
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0821 0.0701 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.8387 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0821 0.0701 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0821 0.0701 0.1162
Treponema pallidum aminopeptidase P 0.0814 0.0693 0.5
Loa Loa (eye worm) hypothetical protein 0.1774 0.1873 0.1777
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0821 0.0701 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.4436 0.5144 1
Leishmania major oligopeptidase b 0.0821 0.0701 0.1162
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0814 0.0693 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0821 0.0701 1
Echinococcus multilocularis xaa pro aminopeptidase 0.0814 0.0693 0.0583
Entamoeba histolytica prolyl oligopeptidase family protein 0.0821 0.0701 1
Trypanosoma brucei oligopeptidase b 0.0821 0.0701 0.1162
Toxoplasma gondii creatinase domain-containing protein 0.0814 0.0693 0.1495
Trypanosoma cruzi oligopeptidase b 0.0821 0.0701 0.1162
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0821 0.0701 1
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0593 0.0421 0.0605
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0821 0.0701 0.1162
Toxoplasma gondii hypothetical protein 0.0821 0.0701 0.1516
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.4436 0.5144 1
Loa Loa (eye worm) hypothetical protein 0.2661 0.2963 0.288
Trypanosoma cruzi prolyl endopeptidase 0.0821 0.0701 0.1162

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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