Detailed information for compound 542865

Basic information

Technical information
  • TDR Targets ID: 542865
  • Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl ]-5-azido-2-nitro-benzamide
  • MW: 393.464 | Formula: C17H29N8O3
  • H donors: 4 H acceptors: 3 LogP: 1.59 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCNCCCCNCCCNC(=O)c1cc(N=[N+]=[NH-])ccc1[N+](=O)[O-]
  • InChi: 1S/C17H28N8O3/c18-7-3-10-20-8-1-2-9-21-11-4-12-22-17(26)15-13-14(23-24-19)5-6-16(15)25(27)28/h5-6,13,20-21H,1-4,7-12,18H2,(H,22,26)
  • InChiKey: ZVKKQYNRQFGEAV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-azido-2-nitrobenzamide
  • N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-5-azido-2-nitro-benzamide
  • (5-azido-2-nitrobenzoyl)spermine
  • 120547-02-6
  • 138109-67-8
  • Anb-spermine

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
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0648 0.0648
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.5515 0.7461
Echinococcus multilocularis snurportin 1 0.0302 0.7392 0.7392
Schistosoma mansoni tar DNA-binding protein 0.0063 0.145 0.145
Loa Loa (eye worm) RNA binding protein 0.0063 0.145 0.1962
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.1063 0.1063
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0648 0.1176
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.1063 0.1889
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.145 0.1962
Onchocerca volvulus 0.003 0.0621 0.1104
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0986 0.0986
Loa Loa (eye worm) hypothetical protein 0.0031 0.0648 0.0877
Brugia malayi intermediate filament protein 0.0026 0.0533 0.0967
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0045 0.005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0045 0.005
Schistosoma mansoni tar DNA-binding protein 0.0063 0.145 0.145
Loa Loa (eye worm) importin-beta domain-containing protein 0.0005 0.0017 0.0023
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0401 0.0543
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0401 0.6744
Loa Loa (eye worm) hypothetical protein 0.0028 0.0587 0.0794
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.2301 0.4172
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0648 0.1176
Trichomonas vaginalis set domain proteins, putative 0.0231 0.5629 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0012 0.0185 0.0251
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1063 0.1063
Brugia malayi CXXC zinc finger family protein 0.0029 0.0594 0.1077
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0401 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0986 0.0986
Brugia malayi Pre-SET motif family protein 0.003 0.0621 0.1126
Echinococcus granulosus intermediate filament protein 0.0026 0.0533 0.0533
Echinococcus multilocularis lamin dm0 0.0026 0.0533 0.0533
Schistosoma mansoni cpg binding protein 0.003 0.0634 0.0634
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.013 0.013
Plasmodium falciparum importin beta, putative 0.0028 0.0587 1
Loa Loa (eye worm) MBCTL1 0.0054 0.1227 0.1659
Loa Loa (eye worm) histone methyltransferase 0.001 0.013 0.0176
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0045 0.005
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1227 0.1227
Schistosoma mansoni hypothetical protein 0.0031 0.0648 0.0648
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0621 0.0621
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0401 0.3104
Schistosoma mansoni hypothetical protein 0.0067 0.1536 0.1536
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0648 0.0648
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0986 0.0986
Echinococcus multilocularis lamin 0.0026 0.0533 0.0533
Echinococcus granulosus tar DNA binding protein 0.0063 0.145 0.145
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0587 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0401 0.0401
Schistosoma mansoni hypothetical protein 0.0031 0.0648 0.0648
Echinococcus multilocularis transportin 1 0.0005 0.0017 0.0017
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.145 0.263
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0454 0.0779
Schistosoma mansoni importin-beta 2 0.0005 0.0017 0.0017
Echinococcus multilocularis dnaJ subfamily B 0.0407 1 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1227 0.1227
Entamoeba histolytica hypothetical protein 0.0106 0.2521 1
Schistosoma mansoni hypothetical protein 0.0289 0.7055 0.7055
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1227 0.1227
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0986 0.0986
Schistosoma mansoni hypothetical protein 0.0031 0.0648 0.0648
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0232 0.042
Onchocerca volvulus Huntingtin homolog 0.0119 0.2847 0.5058
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0012 0.0012
Echinococcus granulosus lamin dm0 0.0026 0.0533 0.0533
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.4533 0.4533
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0045 0.005
Echinococcus multilocularis cpg binding protein 0.003 0.0634 0.0634
Trichomonas vaginalis helicase, putative 0.0006 0.0045 0.005
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0533 0.0967
Echinococcus granulosus transportin 1 0.0005 0.0017 0.0017
Brugia malayi TAR-binding protein 0.0063 0.145 0.263
Leishmania major importin beta-1 subunit, putative 0.0023 0.0454 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.1063 0.1063
Echinococcus multilocularis translational activator gcn1 0.0005 0.0017 0.0017
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0587 0.4602
Schistosoma mansoni tar DNA-binding protein 0.0063 0.145 0.145
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0401 0.6744
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1256 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0106 0.2521 0.2521
Brugia malayi hypothetical protein 0.0106 0.2521 0.4572
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0232 0.0313
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0986 0.0986
Onchocerca volvulus 0.0231 0.5629 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0045 0.005
Brugia malayi mbt repeat family protein 0.0048 0.1063 0.1928
Brugia malayi RNA binding protein 0.0063 0.145 0.263
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1227 0.1227
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0401 0.6362
Brugia malayi Pre-SET motif family protein 0.0203 0.4934 0.8945
Loa Loa (eye worm) kap beta 3 protein 0.0005 0.0017 0.0023
Echinococcus granulosus lamin 0.0026 0.0533 0.0533
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0621 0.0621
Entamoeba histolytica hypothetical protein 0.0106 0.2521 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0648 0.0648
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0587 1
Brugia malayi RNA, U transporter 1 0.0081 0.1884 0.3416
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0127 0.0231
Onchocerca volvulus 0.0029 0.0594 0.1055
Schistosoma mansoni hypothetical protein 0.0106 0.2521 0.2521
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0045 0.005
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0621 0.0621
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0087 0.0087
Onchocerca volvulus 0.0048 0.1063 0.1889
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0648 0.0648
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.1063 0.1063
Brugia malayi mbt repeat family protein 0.0048 0.1063 0.1928
Brugia malayi kap beta 3 protein 0.0005 0.0017 0.003
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.1063 0.1063
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0533 0.0722
Schistosoma mansoni lamin 0.0026 0.0533 0.0533
Echinococcus multilocularis musashi 0.0026 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0012 0.0185 0.0251
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0594 0.0803
Entamoeba histolytica hypothetical protein 0.0023 0.0454 0.1746
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0045 0.005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0621 0.0621
Loa Loa (eye worm) hypothetical protein 0.0119 0.2847 0.3852
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0045 0.005
Leishmania major GTP-binding protein, putative 0.0021 0.0401 0.8795
Loa Loa (eye worm) hypothetical protein 0.0097 0.2301 0.3112
Schistosoma mansoni lamin 0.0026 0.0533 0.0533
Schistosoma mansoni tar DNA-binding protein 0.0063 0.145 0.145
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0087 0.0087
Plasmodium vivax importin-beta 2, putative 0.0028 0.0587 0.9433
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0621 0.0621
Loa Loa (eye worm) hypothetical protein 0.0067 0.1536 0.2078
Onchocerca volvulus Huntingtin homolog 0.0119 0.2847 0.5058
Schistosoma mansoni hypothetical protein 0.0407 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0579 0.0579
Echinococcus granulosus translational activator gcn1 0.0005 0.0017 0.0017
Schistosoma mansoni cpg binding protein 0.0029 0.0594 0.0594
Schistosoma mansoni cpg binding protein 0.003 0.0634 0.0634
Schistosoma mansoni intermediate filament proteins 0.0026 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0026 0.0522 0.0705
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0587 0.0587
Echinococcus multilocularis tar DNA binding protein 0.0063 0.145 0.145
Echinococcus granulosus cpg binding protein 0.003 0.0634 0.0634
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0045 0.005
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1417 0.1417
Echinococcus granulosus importin 5 0.0005 0.0017 0.0017
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1227 0.1227
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.1063 0.1439
Schistosoma mansoni hypothetical protein 0.0031 0.0648 0.0648
Schistosoma mansoni hypothetical protein 0.0302 0.7392 0.7392
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0045 0.005
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0533 0.0722
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0045 0.005
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0454 0.0779
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.4533 0.4533
Schistosoma mansoni transcription factor LCR-F1 0.0106 0.2521 0.2521
Brugia malayi follicle stimulating hormone receptor 0.0227 0.5515 1
Trichomonas vaginalis ran, putative 0.0021 0.0401 0.0685
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0621 0.0621
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0986 0.0986
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0045 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0045 0.005
Entamoeba histolytica hypothetical protein 0.0106 0.2521 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0106 0.2521 0.2521
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0401 0.0728
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.2301 0.3112
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0045 0.005
Entamoeba histolytica Ran family GTPase 0.0021 0.0401 0.1536
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0454 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0045 0.005
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.003 0.0621 0.084
Echinococcus granulosus GPCR family 2 0.0031 0.0648 0.0648
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0621 0.0621
Onchocerca volvulus 0.0026 0.0533 0.0948
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0454 0.0779
Schistosoma mansoni importin beta-1 0.0028 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0026 0.0533 0.0722
Entamoeba histolytica hypothetical protein 0.0106 0.2521 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0986 0.0986
Loa Loa (eye worm) hypothetical protein 0.0048 0.1063 0.1439
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0986 0.1333
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1227 0.2224
Brugia malayi Importin beta-1 subunit 0.0028 0.0587 0.1064
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0986 0.1787
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0621 0.4879
Echinococcus multilocularis importin 5 0.0005 0.0017 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1536 0.2785
Loa Loa (eye worm) hypothetical protein 0.0119 0.2847 0.3852
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.7392 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.4934 0.6674
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.2301 0.4172
Schistosoma mansoni ran 0.0021 0.0401 0.0401
Echinococcus granulosus importin subunit beta 1 0.0028 0.0587 0.0587
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0045 0.005
Schistosoma mansoni tar DNA-binding protein 0.0063 0.145 0.145
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.1063 0.1063
Echinococcus granulosus snurportin 1 0.0302 0.7392 0.7392
Onchocerca volvulus 0.0026 0.0533 0.0948
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.013 0.013
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0087 0.0087
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0401 0.0401
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1063 0.1063
Loa Loa (eye worm) hypothetical protein 0.0013 0.0197 0.0267
Plasmodium vivax SET domain protein, putative 0.003 0.0621 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0648 0.0877
Loa Loa (eye worm) hypothetical protein 0.0054 0.1227 0.1659
Brugia malayi hypothetical protein 0.0119 0.2847 0.5162
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0087 0.0087
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0197 0.0197
Schistosoma mansoni ran 0.0021 0.0401 0.0401
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0087 0.0087
Loa Loa (eye worm) TAR-binding protein 0.0063 0.145 0.1962
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0045 0.005

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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