Detailed information for compound 1561359

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.625 | Formula: C27H32FN3O2S
  • H donors: 1 H acceptors: 1 LogP: 5.17 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCOc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc(cc1)c1cscc1
  • InChi: 1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)
  • InChiKey: TVWNOPFEOFGKFJ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.046 0.6412 0.6412
Brugia malayi hypothetical protein 0.0062 0.0395 0.0395
Loa Loa (eye worm) transcriptional regulator 0.0144 0.1624 0.1624
Loa Loa (eye worm) fli-1 protein 0.0214 0.2694 0.2694
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.046 0.6412 0.6412
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0144 0.1624 0.1624
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0201 0.2493 0.2493
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0697 1 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0087 0.076 0.076
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0037 0.0014 0.0014
Loa Loa (eye worm) transcriptional regulator 0.0697 1 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0144 0.1624 0.1612
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0144 0.1624 0.1624
Loa Loa (eye worm) hypothetical protein 0.019 0.2332 0.2332
Loa Loa (eye worm) hypothetical protein 0.0062 0.0395 0.0395
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0144 0.1624 0.1624
Echinococcus multilocularis inhibitor of apoptosis protein 0.019 0.2332 0.2332
Brugia malayi Fli-1 protein 0.0214 0.2694 0.2694
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.2966 1
Loa Loa (eye worm) subtilase 0.0537 0.7578 0.7578
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.0518 0.0518
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0697 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.046 0.6412 0.6412
Loa Loa (eye worm) sirtuin 4 0.0144 0.1624 0.1624
Echinococcus granulosus caspase 2 0.0062 0.0395 0.0395
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0037 0.0014 0.0014
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0037 0.0014 0.0014
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0037 0.0014 0.0014
Trypanosoma brucei Peptide deformylase 2 0.0087 0.076 0.076
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.046 0.6412 0.6412
Loa Loa (eye worm) hypothetical protein 0.019 0.2332 0.2332
Onchocerca volvulus 0.019 0.2332 1
Schistosoma mansoni caspase-7 (C14 family) 0.0062 0.0395 0.0395
Echinococcus granulosus chromatin regulatory protein sir2 0.0697 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0144 0.1624 0.1624
Schistosoma mansoni chromatin regulatory protein sir2 0.0697 1 1
Echinococcus granulosus inhibitor of apoptosis protein 0.019 0.2332 0.2332
Loa Loa (eye worm) hypothetical protein 0.0316 0.4238 0.4238
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0144 0.1624 0.1624
Schistosoma mansoni chromatin regulatory protein sir2 0.046 0.6412 0.6412
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0267 0.3491 0.3491
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0037 0.0014 0.0014
Trypanosoma brucei Aminopeptidase M1, putative 0.0037 0.0014 0.0014
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0697 1 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0087 0.076 0.076
Plasmodium vivax peptide deformylase, putative 0.0227 0.2884 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0227 0.2884 1
Mycobacterium ulcerans peptide deformylase 0.0227 0.2884 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0144 0.1624 0.1624
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0697 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0697 1 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.019 0.2332 0.2332
Mycobacterium ulcerans aminopeptidase N PepN 0.0037 0.0014 0.005
Schistosoma mansoni gabp alpha 0.0071 0.0518 0.0518
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0697 1 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0062 0.0395 0.0395
Trypanosoma cruzi Aminopeptidase M1, putative 0.0037 0.0014 0.0014
Schistosoma mansoni chromatin regulatory protein sir2 0.0697 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0144 0.1624 0.1624
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0037 0.0014 0.0014
Schistosoma mansoni chromatin regulatory protein sir2 0.0144 0.1624 0.1624
Brugia malayi Ets-domain containing protein 0.0071 0.0518 0.0518
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0037 0.0014 0.0014
Trypanosoma cruzi Peptide deformylase 2, putative 0.0087 0.076 0.076
Trypanosoma brucei Aminopeptidase M1, putative 0.0037 0.0014 0.0014
Onchocerca volvulus 0.0062 0.0395 0.1692
Toxoplasma gondii histone deacetylase SIR2-like 0.0144 0.1624 0.5632
Toxoplasma gondii histone deacetylase SIR2 0.0144 0.1624 0.5632
Leishmania major silent information regulator 2, putative 0.0697 1 1
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0144 0.1624 0.1612
Echinococcus multilocularis aminopeptidase N 0.0037 0.0014 0.0014
Mycobacterium ulcerans NAD-dependent deacetylase 0.0144 0.1624 0.5632
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0227 0.2884 0.9723
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0227 0.2884 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0144 0.1624 0.1624
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0144 0.1624 0.1624
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0037 0.0014 0.0014
Trypanosoma cruzi aminopeptidase, putative 0.0037 0.0014 0.0014
Leishmania major polypeptide deformylase-like protein, putative 0.0087 0.076 0.076
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.046 0.6412 0.6412
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0144 0.1624 0.1624
Brugia malayi transcriptional regulator, Sir2 family protein 0.0144 0.1624 0.1624
Entamoeba histolytica hypothetical protein, conserved 0.0144 0.1624 0.1612
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.046 0.6412 0.5717
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0144 0.1624 0.1624
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.0518 0.0518
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0697 1 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0144 0.1624 0.1624
Chlamydia trachomatis peptide deformylase 0.0227 0.2884 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0144 0.1624 0.1624
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0697 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0267 0.3491 0.3491
Onchocerca volvulus 0.0037 0.0014 0.0062
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0037 0.0014 0.0014
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.019 0.2332 0.2332
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0037 0.0014 0.0014
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0201 0.2493 0.2493
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0537 0.7578 0.7578
Leishmania major sir2-family protein-like protein 0.0144 0.1624 0.1624
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0267 0.3491 0.3491
Plasmodium vivax hypothetical protein, conserved 0.0144 0.1624 0.5632
Schistosoma mansoni hypothetical protein 0.019 0.2332 0.2332
Schistosoma mansoni inhibitor of apoptosis protein 0.019 0.2332 0.2332
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0087 0.076 0.076
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0037 0.0014 0.0014
Echinococcus multilocularis caspase 2 0.0062 0.0395 0.0395
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.005 0.0202 0.0202
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.0518 0.0518
Onchocerca volvulus Cell death protein 3 homolog 0.0062 0.0395 0.1692
Loa Loa (eye worm) aminopeptidase N 0.0037 0.0014 0.0014
Brugia malayi Cell death protein 3 precursor 0.0062 0.0395 0.0395
Plasmodium vivax NAD-dependent deacetylase, putative 0.0144 0.1624 0.5632
Schistosoma mansoni hypothetical protein 0.0062 0.0395 0.0395
Trypanosoma brucei Polypeptide deformylase 1 0.0087 0.076 0.076
Schistosoma mansoni chromatin regulatory protein sir2 0.0697 1 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0037 0.0014 0.0014
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0037 0.0014 0.0014
Trypanosoma brucei SIR2-like protein 4, putative 0.0144 0.1624 0.1624
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0037 0.0014 0.0014
Schistosoma mansoni chromatin regulatory protein sir2 0.0144 0.1624 0.1624
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0697 1 1
Brugia malayi Ets-domain containing protein 0.0071 0.0518 0.0518
Echinococcus granulosus aminopeptidase N 0.0037 0.0014 0.0014
Giardia lamblia Hypothetical protein 0.0697 1 1
Brugia malayi Peptidase family M1 containing protein 0.0037 0.0014 0.0014
Echinococcus multilocularis chromatin regulatory protein sir2 0.0697 1 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.019 0.2332 0.2332
Echinococcus granulosus apoptotic protease activating factor 1 0.0062 0.0395 0.0395
Brugia malayi hypothetical protein 0.0037 0.0014 0.0014
Brugia malayi NAD-dependent deacetylase SIRT1 0.046 0.6412 0.6412
Brugia malayi Peptidase family M1 containing protein 0.0037 0.0014 0.0014
Treponema pallidum polypeptide deformylase (def) 0.0227 0.2884 0.5
Mycobacterium ulcerans Sir2-like regulatory protein 0.0144 0.1624 0.5632
Plasmodium falciparum peptide deformylase 0.0227 0.2884 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0144 0.1624 0.1624
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.046 0.6412 0.6412
Loa Loa (eye worm) transcriptional regulator 0.0144 0.1624 0.1624
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0037 0.0014 0.0014
Schistosoma mansoni ets-related 0.0214 0.2694 0.2694
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0037 0.0014 0.0014
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.019 0.2332 0.2332
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.046 0.6412 0.6412
Loa Loa (eye worm) hypothetical protein 0.006 0.0363 0.0363
Brugia malayi Subtilase family protein 0.0537 0.7578 0.7578
Brugia malayi transcriptional regulator, Sir2 family protein 0.0144 0.1624 0.1624
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0037 0.0014 0.0014
Toxoplasma gondii hypothetical protein 0.0227 0.2884 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0395 0.0395
Onchocerca volvulus Deterin homolog 0.019 0.2332 1
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0144 0.1624 0.5476
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.019 0.2332 0.2332
Onchocerca volvulus 0.0037 0.0014 0.0062

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.