Detailed information for compound 1795603

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 671.008 | Formula: C40H70N4O4
  • H donors: 0 H acceptors: 0 LogP: 8.19 Rotable bonds: 29
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(CCOc1cc(CCCCc2ccc(c(c2)OCCN(CC)CC)OCCN(CC)CC)ccc1OCCN(CC)CC)CC
  • InChi: 1S/C40H70N4O4/c1-9-41(10-2)25-29-45-37-23-21-35(33-39(37)47-31-27-43(13-5)14-6)19-17-18-20-36-22-24-38(46-30-26-42(11-3)12-4)40(34-36)48-32-28-44(15-7)16-8/h21-24,33-34H,9-20,25-32H2,1-8H3
  • InChiKey: QROCYVPJPWZLIK-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
Loa Loa (eye worm) hypothetical protein 0.065 0.3748 0.7222
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0239 0.1235 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0239 0.1235 1
Brugia malayi hypothetical protein 0.0239 0.1235 0.2453
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0247 0.1281 0.2587
Mycobacterium ulcerans monoamine oxidase 0.0239 0.1235 0.1235
Loa Loa (eye worm) hypothetical protein 0.0469 0.2641 0.5088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0846 0.495 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0469 0.2641 1
Brugia malayi Myb-like DNA-binding domain containing protein 0.086 0.5035 1
Onchocerca volvulus 0.0493 0.279 0.5376
Loa Loa (eye worm) hypothetical protein 0.086 0.5035 0.9703
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0 0.0001
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0239 0.1235 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0 0.0001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0 0.0001
Toxoplasma gondii histone lysine-specific demethylase 0.0239 0.1235 1
Loa Loa (eye worm) hypothetical protein 0.0469 0.2641 0.5088
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1432 0.8535 1
Onchocerca volvulus 0.005 0.0078 0.0151
Trichomonas vaginalis esterase, putative 0.0038 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.124 0.1452
Echinococcus multilocularis 0.0239 0.1235 0.2496
Schistosoma mansoni amine oxidase 0.0239 0.1235 0.4678
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1671 1 1
Brugia malayi hypothetical protein 0.0247 0.1281 0.2543
Schistosoma mansoni survival motor neuron protein 0.005 0.0078 0.0296
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0239 0.1235 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0239 0.1235 0.1447
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0239 0.1235 1
Schistosoma mansoni hypothetical protein 0.005 0.0078 0.0296
Mycobacterium ulcerans dehydrogenase 0.0239 0.1235 0.1235
Echinococcus granulosus lysine specific histone demethylase 1A 0.0469 0.2641 1
Loa Loa (eye worm) hypothetical protein 0.0247 0.1281 0.2468
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0239 0.1235 0.4678
Loa Loa (eye worm) hypothetical protein 0.0885 0.5189 1
Loa Loa (eye worm) hypothetical protein 0.0493 0.279 0.5376
Trypanosoma brucei hypothetical protein, conserved 0.0038 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0595 0.3414 0.6579
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0239 0.1235 0.4678
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0078 0.0155
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0239 0.1235 1
Echinococcus granulosus survival motor neuron protein 1 0.0247 0.1281 0.485
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0239 0.1235 0.1235
Brugia malayi SWIRM domain containing protein 0.0493 0.279 0.554
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0239 0.1235 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0239 0.1235 0.2496
Mycobacterium ulcerans oxidoreductase 0.0239 0.1235 0.1235
Leishmania major UDP-galactopyranose mutase 0.0239 0.1235 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0239 0.1235 0.1447
Loa Loa (eye worm) hypothetical protein 0.0239 0.1235 0.238
Plasmodium falciparum protoporphyrinogen oxidase 0.0239 0.1235 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0469 0.2641 0.5335
Onchocerca volvulus CoRest homolog 0.0885 0.5189 1
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0239 0.1235 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0239 0.1235 1
Brugia malayi amine oxidase, flavin-containing family protein 0.062 0.3564 0.7077
Schistosoma mansoni amine oxidase 0.0239 0.1235 0.4678
Chlamydia trachomatis protoporphyrinogen oxidase 0.0239 0.1235 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0239 0.1235 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 25 uM Inhibition of survivin (unknown origin) ChEMBL. 24080463

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

1 literature reference was collected for this gene.

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