Detailed information for compound 1615327

Basic information

Technical information
  • TDR Targets ID: 1615327
  • Name: 4-(4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]un decan-5-yl)butanenitrile
  • MW: 242.347 | Formula: C10H18N2O3Si
  • H donors: 0 H acceptors: 1 LogP: 0.29 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCC[Si]12OCCN(CCO1)CCO2
  • InChi: 1S/C10H18N2O3Si/c11-3-1-2-10-16-13-7-4-12(5-8-14-16)6-9-15-16/h1-2,4-10H2
  • InChiKey: CGPZMTAMGCNLFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-5-yl)butyronitrile
  • 79747-04-9
  • 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-butane nitrile
  • 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile
  • NCI60_008400
  • 4-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-yl)butanenitrile
  • AIDS-132489
  • AIDS132489
  • NSC626548

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
Brugia malayi Animal haem peroxidase family protein 0.0079 0.0076 0.0265
Loa Loa (eye worm) hypothetical protein 0.1218 0.2681 0.9377
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.0116 0.0025
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0485 0.1004 0.3745
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0365 0.073 0.2553
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.0116 0.0025
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0485 0.1004 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0365 0.073 0.7243
Mycobacterium ulcerans dehydrogenase 0.0485 0.1004 0.0773
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Loa Loa (eye worm) hypothetical protein 0.0485 0.1004 0.3511
Loa Loa (eye worm) hypothetical protein 0.1218 0.2681 0.9377
Schistosoma mansoni SWI/SNF complex-related 0.0078 0.0073 0.0271
Brugia malayi SWIRM domain containing protein 0.0078 0.0073 0.0254
Toxoplasma gondii histone lysine-specific demethylase 0.0485 0.1004 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.1218 0.2681 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0523 0.1091 0.407
Echinococcus granulosus lysine specific histone demethylase 1A 0.1218 0.2681 1
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0078 0.0073 0.0271
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Brugia malayi Animal haem peroxidase family protein 0.0079 0.0076 0.0265
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0073 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.057 0.563
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.025 0.0178
Echinococcus multilocularis geminin 0.0171 0.0285 0.1063
Schistosoma mansoni amine oxidase 0.0485 0.1004 0.3745
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.057 0.4502
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0006 0.0021
Onchocerca volvulus 0.1295 0.2859 1
Echinococcus granulosus peroxidasin 0.0079 0.0076 0.0282
Brugia malayi Animal haem peroxidase family protein 0.0079 0.0076 0.0265
Loa Loa (eye worm) blistered cuticle protein 3 0.0079 0.0076 0.0265
Schistosoma mansoni hypothetical protein 0.0171 0.0285 0.1063
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0485 0.1004 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Brugia malayi Blistered cuticle protein 3 0.0079 0.0076 0.0265
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0485 0.1004 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.3931 0.8891 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.057 0.6893
Echinococcus multilocularis peroxidasin 0.0079 0.0076 0.0282
Loa Loa (eye worm) animal heme peroxidase 0.0079 0.0076 0.0265
Brugia malayi Animal haem peroxidase family protein 0.0079 0.0076 0.0265
Schistosoma mansoni amine oxidase 0.0485 0.1004 0.3745
Schistosoma mansoni hypothetical protein 0.0171 0.0285 0.1063
Loa Loa (eye worm) hypothetical protein 0.0485 0.1004 0.3511
Leishmania major C-8 sterol isomerase-like protein 0.0365 0.073 0.6532
Mycobacterium ulcerans oxidoreductase 0.0485 0.1004 0.0773
Brugia malayi Peroxidasin 0.0079 0.0076 0.0265
Loa Loa (eye worm) hypothetical protein 0.0049 0.0006 0.0021
Loa Loa (eye worm) hypothetical protein 0.0078 0.0073 0.0254
Loa Loa (eye worm) hypothetical protein 0.0187 0.0322 0.1125
Schistosoma mansoni peroxidasin 0.0079 0.0076 0.0282
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0485 0.1004 0.5
Entamoeba histolytica SWIRM domain protein 0.0078 0.0073 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0485 0.1004 0.3745
Giardia lamblia hypothetical protein 0.0078 0.0073 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.0116 0.0025
Brugia malayi hypothetical protein 0.0485 0.1004 0.3511
Loa Loa (eye worm) hypothetical protein 0.1295 0.2859 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.057 0.563
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Brugia malayi hypothetical protein 0.0079 0.0076 0.0265
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.0116 0.0244
Loa Loa (eye worm) hypothetical protein 0.0563 0.1182 0.4134
Brugia malayi amine oxidase, flavin-containing family protein 0.0563 0.1182 0.4134
Loa Loa (eye worm) animal heme peroxidase 0.0079 0.0076 0.0265
Toxoplasma gondii SWIRM domain-containing protein 0.0078 0.0073 0.0691
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0485 0.1004 0.0773
Mycobacterium ulcerans monoamine oxidase 0.0485 0.1004 0.0773
Echinococcus granulosus geminin 0.0171 0.0285 0.1063
Plasmodium falciparum protoporphyrinogen oxidase 0.0485 0.1004 0.5
Plasmodium vivax hypothetical protein, conserved 0.0485 0.1004 0.5
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0078 0.0073 0.0271
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Schistosoma mansoni peroxidasin 0.0079 0.0076 0.0282
Trypanosoma cruzi UDP-galactopyranose mutase 0.0485 0.1004 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0485 0.1004 0.1035
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0214 0.2051
Echinococcus granulosus tm gpcr rhodopsin 0.0523 0.1091 0.407
Entamoeba histolytica hypothetical protein 0.0078 0.0073 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0006 0.0021
Trypanosoma brucei C-8 sterol isomerase, putative 0.0365 0.073 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0485 0.1004 0.1035
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0485 0.1004 0.5
Plasmodium vivax hypothetical protein, conserved 0.0485 0.1004 0.5
Leishmania major UDP-galactopyranose mutase 0.0485 0.1004 1
Brugia malayi SWIRM domain containing protein 0.1295 0.2859 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0485 0.1004 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Loa Loa (eye worm) animal heme peroxidase 0.0079 0.0076 0.0265
Echinococcus multilocularis protoporphyrinogen oxidase 0.0485 0.1004 0.3745
Loa Loa (eye worm) hypothetical protein 0.0365 0.073 0.2553
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Trypanosoma cruzi UDP-galactopyranose mutase 0.0485 0.1004 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.1218 0.2681 1
Entamoeba histolytica SWIRM domain protein 0.0078 0.0073 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0006 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0073 0.5
Brugia malayi Animal haem peroxidase family protein 0.0079 0.0076 0.0265
Loa Loa (eye worm) hypothetical protein 0.0079 0.0076 0.0265
Loa Loa (eye worm) animal heme peroxidase 0.0079 0.0076 0.0265
Echinococcus multilocularis 0.0485 0.1004 0.3745
Chlamydia trachomatis protoporphyrinogen oxidase 0.0485 0.1004 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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