Detailed information for compound 1165353

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 531.729 | Formula: C33H45N3O3
  • H donors: 1 H acceptors: 2 LogP: 7.12 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C21CCN(CC2)CCc1cccc(c1)Oc1ccccc1
  • InChi: 1S/C33H45N3O3/c1-2-3-20-36-31(37)30(25-26-11-6-4-7-12-26)34-32(38)33(36)18-22-35(23-19-33)21-17-27-13-10-16-29(24-27)39-28-14-8-5-9-15-28/h5,8-10,13-16,24,26,30H,2-4,6-7,11-12,17-23,25H2,1H3,(H,34,38)/t30-/m0/s1
  • InChiKey: SSTLFVIKGGGGDX-PMERELPUSA-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
Mycobacterium ulcerans aminopeptidase N PepN 0.01 0.0326 1
Loa Loa (eye worm) hypothetical protein 0.0486 0.2424 0.2424
Echinococcus multilocularis phd:f box containing protein 0.0075 0.019 0.019
Schistosoma mansoni survival motor neuron protein 0.0099 0.0322 0.0322
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0122 0.0448 0.0448
Schistosoma mansoni hypothetical protein 0.0099 0.0322 0.0322
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0075 0.019 0.019
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1878 1 1
Mycobacterium leprae Probable lipase LipE 0.004 0 0.5
Brugia malayi hypothetical protein 0.0864 0.448 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.01 0.0326 0.0326
Brugia malayi Peptidase family M1 containing protein 0.01 0.0326 0.0727
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.01 0.0326 0.0326
Schistosoma mansoni phd/f-box containing protein 0.0075 0.019 0.019
Echinococcus multilocularis JmjC domain containing protein 4 0.0075 0.019 0.019
Onchocerca volvulus Huntingtin homolog 0.012 0.0436 0.0861
Loa Loa (eye worm) hypothetical protein 0.0069 0.0158 0.0158
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0331 0.074
Brugia malayi PHD-finger family protein 0.018 0.076 0.1697
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0118 0.0424 0.0424
Echinococcus multilocularis aminopeptidase N 0.01 0.0326 0.0326
Brugia malayi F/Y-rich N-terminus family protein 0.0063 0.0127 0.0283
Schistosoma mansoni hypothetical protein 0.018 0.076 0.076
Brugia malayi MH2 domain containing protein 0.0132 0.0503 0.1122
Echinococcus granulosus dna polymerase eta 0.0043 0.0018 0.0018
Onchocerca volvulus 0.01 0.0326 0.0643
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.0018 0.0558
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.01 0.0326 0.3396
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0122 0.0448 0.0448
Schistosoma mansoni jumonji/arid domain-containing protein 0.0281 0.1309 0.1309
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.117 1
Brugia malayi hypothetical protein 0.01 0.0326 0.0727
Loa Loa (eye worm) jmjC domain-containing protein 0.0075 0.019 0.019
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.01 0.0326 0.0326
Giardia lamblia PHD finger protein 15 0.018 0.076 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.0326 0.0326
Schistosoma mansoni DNA polymerase eta 0.0043 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.01 0.0326 0.0326
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0853 0.4421 0.4421
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0102 0.1346
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0331 0.0331
Onchocerca volvulus 0.0099 0.0322 0.0635
Schistosoma mansoni jumonji domain containing protein 0.0531 0.2669 0.2669
Trypanosoma brucei Aminopeptidase M1, putative 0.01 0.0326 1
Brugia malayi Pre-SET motif family protein 0.0853 0.4421 0.9868
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.01 0.0326 0.4285
Toxoplasma gondii aminopeptidase N, putative 0.01 0.0326 0.4285
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1878 1 1
Entamoeba histolytica aminopeptidase, putative 0.01 0.0326 0.5
Brugia malayi Bromodomain containing protein 0.018 0.076 0.1697
Echinococcus granulosus aminopeptidase N 0.01 0.0326 0.0326
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Schistosoma mansoni jumonji domain containing protein 0.0075 0.019 0.019
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.01 0.0326 0.0326
Loa Loa (eye worm) jmjC domain-containing protein 0.0075 0.019 0.019
Toxoplasma gondii aminopeptidase n, putative 0.01 0.0326 0.4285
Schistosoma mansoni hypothetical protein 0.0532 0.2675 0.2675
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0122 0.0448 0.5896
Schistosoma mansoni hypothetical protein 0.0532 0.2675 0.2675
Schistosoma mansoni phosphatidylserine receptor 0.0075 0.019 0.019
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.0503 0.0503
Onchocerca volvulus Alhambra homolog 0.018 0.076 0.1502
Trypanosoma cruzi aminopeptidase, putative 0.01 0.0326 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0075 0.019 0.019
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1878 1 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.01 0.0326 1
Mycobacterium ulcerans aminopeptidase N PepN 0.01 0.0326 1
Onchocerca volvulus Huntingtin homolog 0.012 0.0436 0.0861
Leishmania major hypothetical protein, conserved 0.0075 0.019 0.583
Onchocerca volvulus 0.0971 0.5062 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0436 0.0436
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0102 0.1346
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0075 0.019 0.583
Brugia malayi TATA binding protein associated factor 0.01 0.0326 0.0727
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0122 0.0448 0.0448
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0075 0.019 0.2498
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0331 0.074
Plasmodium falciparum JmjC domain-containing protein, putative 0.0075 0.019 0.1332
Schistosoma mansoni hypothetical protein 0.0059 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0101 0.0331 0.0331
Echinococcus granulosus lysine specific demethylase 5A 0.0281 0.1309 0.1309
Onchocerca volvulus 0.0122 0.0448 0.0885
Brugia malayi hypothetical protein 0.01 0.0326 0.0727
Echinococcus granulosus jumonji domain containing 1A 0.0075 0.019 0.019
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0075 0.019 0.019
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.01 0.0326 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.01 0.0326 0.0643
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.01 0.0326 0.0643
Onchocerca volvulus 0.01 0.0326 0.0643
Echinococcus granulosus jumonji domain containing protein 0.025 0.1143 0.1143
Echinococcus multilocularis geminin 0.0532 0.2675 0.2675
Brugia malayi AF-10 protein 0.0059 0.0102 0.0228
Brugia malayi jmjC domain containing protein 0.0075 0.019 0.0424
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0652 0.3327 0.3327
Leishmania major DNA polymerase eta, putative 0.0043 0.0018 0.0558
Toxoplasma gondii aminopeptidase N protein 0.01 0.0326 0.4285
Echinococcus multilocularis lysine specific demethylase 6a 0.0075 0.019 0.019
Plasmodium falciparum M1-family alanyl aminopeptidase 0.01 0.0326 0.3396
Loa Loa (eye worm) hypothetical protein 0.0075 0.019 0.019
Echinococcus granulosus peregrin 0.018 0.076 0.076
Echinococcus multilocularis lysine specific demethylase 5A 0.0281 0.1309 0.1309
Loa Loa (eye worm) hypothetical protein 0.0325 0.155 0.155
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0075 0.019 0.2498
Loa Loa (eye worm) hypothetical protein 0.0043 0.0018 0.0018
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.01 0.0326 1
Trypanosoma brucei aminopeptidase, putative 0.01 0.0326 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.01 0.0326 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.01 0.0326 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0122 0.0448 0.0448
Trichomonas vaginalis set domain proteins, putative 0.0971 0.5062 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.01 0.0326 0.0326
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.01 0.0326 0.4285
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.01 0.0326 0.0643
Brugia malayi jmjC domain containing protein 0.0075 0.019 0.0424
Brugia malayi jmjC domain containing protein 0.0075 0.019 0.0424
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.01 0.0326 1
Plasmodium falciparum phd finger protein, putative 0.018 0.076 1
Brugia malayi PHD-finger family protein 0.0059 0.0102 0.0228
Trypanosoma brucei Aminopeptidase M1, putative 0.01 0.0326 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.01 0.0326 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.01 0.0326 1
Brugia malayi hypothetical protein 0.0486 0.2424 0.5411
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.01 0.0326 0.0326
Toxoplasma gondii PHD-finger domain-containing protein 0.018 0.076 1
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0059 0.0102 0.3141
Echinococcus granulosus JmjC domain containing protein 4 0.0075 0.019 0.019
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.018 0.076 0.076
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0018 0.0041
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Plasmodium vivax hypothetical protein, conserved 0.018 0.076 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0075 0.019 0.583
Loa Loa (eye worm) PHD-finger family protein 0.018 0.076 0.076
Schistosoma mansoni hypothetical protein 0.0069 0.0158 0.0158
Echinococcus multilocularis jumonji domain containing 1A 0.0075 0.019 0.019
Plasmodium vivax SET domain protein, putative 0.0122 0.0448 0.5896
Brugia malayi hypothetical protein 0.012 0.0436 0.0973
Loa Loa (eye worm) aminopeptidase N 0.01 0.0326 0.0326
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0075 0.019 0.583
Echinococcus granulosus PHD finger protein rhinoceros 0.018 0.076 0.076
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0122 0.0448 0.0448
Mycobacterium leprae conserved hypothetical protein 0.004 0 0.5
Schistosoma mansoni protein phosphatase 2C 0.0075 0.019 0.019
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0122 0.0448 0.0448
Loa Loa (eye worm) jmjC domain-containing protein 0.0281 0.1309 0.1309
Echinococcus granulosus geminin 0.0532 0.2675 0.2675
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0122 0.0448 0.0448
Plasmodium vivax JmjC domain containing protein 0.0075 0.019 0.2498
Trypanosoma cruzi Aminopeptidase M1, putative 0.01 0.0326 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.01 0.0326 1
Brugia malayi jmjC domain containing protein 0.0281 0.1309 0.2922
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0099 0.0322 0.0718
Echinococcus granulosus survival motor neuron protein 1 0.0486 0.2424 0.2424
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0075 0.019 0.019
Brugia malayi jmjC domain containing protein 0.0652 0.3327 0.7425
Loa Loa (eye worm) hypothetical protein 0.018 0.076 0.076
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0158 0.0352
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0059 0.0102 0.3141
Loa Loa (eye worm) hypothetical protein 0.0122 0.0448 0.0448
Echinococcus granulosus phd:f box containing protein 0.0075 0.019 0.019
Brugia malayi jmjC domain containing protein 0.0075 0.019 0.0424
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.01 0.0326 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0652 0.3327 0.3327
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Echinococcus multilocularis PHD finger protein rhinoceros 0.018 0.076 0.076
Echinococcus granulosus lysine specific demethylase 6a 0.0075 0.019 0.019
Toxoplasma gondii PHD-finger domain-containing protein 0.018 0.076 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0436 0.0436
Loa Loa (eye worm) TATA binding protein associated factor 0.01 0.0326 0.0326
Trypanosoma cruzi aminopeptidase, putative 0.01 0.0326 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.0503 0.0503
Echinococcus multilocularis dna polymerase eta 0.0043 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0075 0.019 0.019
Brugia malayi Peptidase family M1 containing protein 0.01 0.0326 0.0727
Onchocerca volvulus 0.01 0.0326 0.0643
Loa Loa (eye worm) hypothetical protein 0.0059 0.0102 0.0102
Loa Loa (eye worm) jmjC domain-containing protein 0.0371 0.1801 0.1801
Schistosoma mansoni jumonji/arid domain-containing protein 0.0281 0.1309 0.1309
Echinococcus multilocularis jumonji domain containing protein 0.025 0.1143 0.1143
Brugia malayi Peptidase family M1 containing protein 0.01 0.0326 0.0727
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0326 0.0326
Schistosoma mansoni aminopeptidase A (M01 family) 0.01 0.0326 0.0326
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0059 0.0102 0.1346
Brugia malayi Pre-SET motif family protein 0.0122 0.0448 0.1
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0018 0.0558
Echinococcus multilocularis survival motor neuron protein 1 0.0486 0.2424 0.2424
Echinococcus multilocularis peregrin 0.018 0.076 0.076

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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