Detailed information for compound 845756

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 448.577 | Formula: C26H28N2O3S
  • H donors: 1 H acceptors: 3 LogP: 5.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1c2ccc(cc2c2c(S1(=O)=O)cccc2)C(C)C)Nc1ccccc1C(C)C
  • InChi: 1S/C26H28N2O3S/c1-17(2)19-13-14-24-22(15-19)21-10-6-8-12-25(21)32(30,31)28(24)16-26(29)27-23-11-7-5-9-20(23)18(3)4/h5-15,17-18H,16H2,1-4H3,(H,27,29)
  • InChiKey: POWCCZYUIAPXGF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0235 0.0133 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0235 0.0133 0.0301
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0235 0.0133 0.5
Toxoplasma gondii aminopeptidase n, putative 0.0235 0.0133 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0235 0.0133 0.0301
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.4421 0.3657 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0235 0.0133 0.5
Onchocerca volvulus 0.0235 0.0133 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Brugia malayi Peptidase family M1 containing protein 0.0235 0.0133 0.011
Loa Loa (eye worm) hypothetical protein 0.0079 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0105 0.0023 0.0023
Loa Loa (eye worm) TATA binding protein associated factor 0.0235 0.0133 0.0133
Loa Loa (eye worm) leukotriene A4 hydrolase 0.4421 0.3657 0.3657
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0235 0.0133 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0235 0.0133 0.5
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0105 0.0023 0.5
Brugia malayi Peptidase family M1 containing protein 0.0235 0.0133 0.011
Echinococcus granulosus aminopeptidase N 0.0235 0.0133 0.0301
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0235 0.0133 0.5
Onchocerca volvulus 0.0235 0.0133 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0235 0.0133 0.5
Brugia malayi hypothetical protein 0.2033 0.1646 0.1627
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0235 0.0133 0.5
Mycobacterium leprae probable zinc metalloprotease 0.0105 0.0023 0.5
Trypanosoma brucei aminopeptidase, putative 0.0235 0.0133 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0235 0.0133 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Toxoplasma gondii aminopeptidase N, putative 0.0235 0.0133 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.4421 0.3657 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0235 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0079 0.0002 0.0002
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0235 0.0133 0.5
Echinococcus multilocularis aminopeptidase N 0.0235 0.0133 0.0301
Entamoeba histolytica aminopeptidase, putative 0.0235 0.0133 0.5
Onchocerca volvulus 0.0235 0.0133 0.5
Brugia malayi Peptidase family M1 containing protein 0.0235 0.0133 0.011
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Loa Loa (eye worm) hypothetical protein 0.0079 0.0002 0.0002
Mycobacterium ulcerans aminopeptidase N PepN 0.0235 0.0133 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0235 0.0133 0.5
Brugia malayi hypothetical protein 0.0235 0.0133 0.011
Schistosoma mansoni aminopeptidase A (M01 family) 0.0235 0.0133 0.0301
Loa Loa (eye worm) hypothetical protein 0.0079 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0235 0.0133 0.0133
Mycobacterium ulcerans aminopeptidase N PepN 0.0235 0.0133 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0235 0.0133 0.5
Loa Loa (eye worm) aminopeptidase N 0.0235 0.0133 0.0133
Trypanosoma brucei Aminopeptidase M1, putative 0.0235 0.0133 0.5
Toxoplasma gondii aminopeptidase N protein 0.0235 0.0133 1
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0235 0.0133 0.5
Loa Loa (eye worm) angiotensin-converting enzyme family protein 1.1954 1 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.0133 0.0133
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0235 0.0133 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0235 0.0133 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0002 0.0002
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0235 0.0133 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.4421 0.3657 1
Trypanosoma cruzi aminopeptidase, putative 0.0235 0.0133 0.5
Loa Loa (eye worm) hypothetical protein 0.0235 0.0133 0.0133
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0235 0.0133 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301
Brugia malayi hypothetical protein 0.0235 0.0133 0.011
Loa Loa (eye worm) hypothetical protein 0.0079 0.0002 0.0002
Brugia malayi TATA binding protein associated factor 0.0235 0.0133 0.011
Loa Loa (eye worm) hypothetical protein 0.0105 0.0023 0.0023
Trypanosoma cruzi aminopeptidase, putative 0.0235 0.0133 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0235 0.0133 0.0301
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0235 0.0133 0.0301
Loa Loa (eye worm) hypothetical protein 0.0105 0.0023 0.0023
Trypanosoma brucei Aminopeptidase M1, putative 0.0235 0.0133 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0235 0.0133 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0235 0.0133 0.0301

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.