Detailed information for compound 1747926

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 518.78 | Formula: C32H50N6
  • H donors: 2 H acceptors: 0 LogP: 4.13 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN1CCN(CC1)c1ccc(cc1)CNCC1CCCC(C1)CNCc1ccc(cc1)N1CCN(CC1)C
  • InChi: 1S/C32H50N6/c1-35-14-18-37(19-15-35)31-10-6-27(7-11-31)23-33-25-29-4-3-5-30(22-29)26-34-24-28-8-12-32(13-9-28)38-20-16-36(2)17-21-38/h6-13,29-30,33-34H,3-5,14-26H2,1-2H3
  • InChiKey: IZXAKKTYTPGTIN-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
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0066 0.1317 1
Trypanosoma brucei RNA helicase, putative 0.0104 0.3002 0.8597
Echinococcus granulosus caspase 2 0.0156 0.5336 0.5336
Trypanosoma cruzi metacaspase 5, putative 0.0115 0.3492 1
Plasmodium falciparum metacaspase-like protein 0.0115 0.3492 0.5
Trichomonas vaginalis Sentrin-specific protease, putative 0.0066 0.1317 0.3772
Schistosoma mansoni hypothetical protein 0.0041 0.0189 0.0189
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0115 0.3492 1
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.3492 1
Trypanosoma brucei Metacaspase-4 0.0115 0.3492 1
Echinococcus granulosus traf and tnf receptor associated protein 0.0184 0.6611 0.6611
Schistosoma mansoni caspase-7 (C14 family) 0.026 1 1
Plasmodium vivax hypothetical protein, conserved 0.0115 0.3492 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0024 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.3492 1
Brugia malayi hypothetical protein 0.0037 0.0024 0.0037
Schistosoma mansoni caspase-3 (C14 family) 0.026 1 1
Trypanosoma cruzi metacaspase 5, putative 0.0115 0.3492 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0184 0.6611 1
Trypanosoma brucei metacaspase 5, putative 0.0115 0.3492 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0041 0.0189 0.0189
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0115 0.3492 1
Entamoeba histolytica hypothetical protein 0.0037 0.0024 0.0184
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0115 0.3492 1
Schistosoma mansoni caspase-7 (C14 family) 0.0156 0.5336 0.5336
Plasmodium vivax metacaspase 1, putative 0.0115 0.3492 0.5
Trypanosoma cruzi metacaspase, putative 0.0115 0.3492 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0115 0.3492 0.5482
Echinococcus granulosus sentrin specific protease 8 0.0066 0.1317 0.1317
Trypanosoma cruzi metacaspase, putative 0.0115 0.3492 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0115 0.3492 1
Echinococcus multilocularis caspase 8 0.0115 0.3492 0.3492
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0066 0.1317 0.1992
Echinococcus granulosus caspase 0.026 1 1
Onchocerca volvulus Cell death protein 3 homolog 0.0156 0.5336 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0024 0.0024
Leishmania major metacaspase, putative 0.0115 0.3492 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0024 0.0184
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0115 0.3492 0.3492
Loa Loa (eye worm) hypothetical protein 0.0156 0.5336 0.8224
Loa Loa (eye worm) hypothetical protein 0.0041 0.0189 0.0292
Brugia malayi hypothetical protein 0.0041 0.0189 0.0286
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0066 0.1317 0.3772
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0115 0.3492 0.5482
Trypanosoma cruzi hypothetical protein 0.0066 0.1317 0.3772
Plasmodium falciparum metacaspase 1 0.0115 0.3492 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0024 0.0184
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.3492 1
Onchocerca volvulus 0.0041 0.0189 0.0355
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0115 0.3492 1
Trypanosoma brucei metacaspase 0.0115 0.3492 1
Loa Loa (eye worm) Ulp1 protease 0.0066 0.1317 0.203
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.3492 1
Echinococcus multilocularis traf and tnf receptor associated protein 0.0184 0.6611 0.6611
Echinococcus multilocularis caspase 2 0.0156 0.5336 0.5336
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.3492 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0115 0.3492 0.5282
Echinococcus multilocularis caspase 0.026 1 1
Trypanosoma cruzi metacaspase, putative 0.0115 0.3492 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0066 0.1317 0.1317
Schistosoma mansoni hypothetical protein 0.0104 0.3002 0.3002
Echinococcus granulosus caspase 8 0.0115 0.3492 0.3492
Brugia malayi Cell death protein 3 precursor 0.0156 0.5336 0.807
Entamoeba histolytica hypothetical protein 0.0037 0.0024 0.0184
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0115 0.3492 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0115 0.3492 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.026 1 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0041 0.0189 0.0189
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0115 0.3492 0.5482
Echinococcus multilocularis caspase 3 0.0145 0.4854 0.4854
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0181 0.6488 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0179 0.637 1
Trypanosoma brucei metacaspase MCA3 0.0115 0.3492 1
Trypanosoma cruzi metacaspase, putative 0.0115 0.3492 1
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.3492 1
Echinococcus granulosus caspase 3 0.0145 0.4854 0.4854
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0066 0.1317 0.3772
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0115 0.3492 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.3492 0.5383
Schistosoma mansoni hypothetical protein 0.0037 0.0024 0.0024
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0066 0.1317 0.3772
Echinococcus multilocularis sentrin specific protease 8 0.0066 0.1317 0.1317
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0024 0.0024
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0115 0.3492 1
Trypanosoma brucei metacaspase MCA2 0.0115 0.3492 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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