Detailed information for compound 1170289

Basic information

Technical information
  • TDR Targets ID: 1170289
  • Name: 2-[1-[3-amino-5-[N-(diaminomethylideneamino)- C-methylcarbonimidoyl]phenyl]ethylideneamino] guanidine
  • MW: 289.34 | Formula: C12H19N9
  • H donors: 5 H acceptors: 0 LogP: -0.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)N/N=C(/c1cc(N)cc(c1)/C(=N/NC(=N)N)/C)\C
  • InChi: 1S/C12H19N9/c1-6(18-20-11(14)15)8-3-9(5-10(13)4-8)7(2)19-21-12(16)17/h3-5H,13H2,1-2H3,(H4,14,15,20)(H4,16,17,21)/b18-6+,19-7+
  • InChiKey: OJEQEZWXYYTFQK-JRGWAENISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[1-[3-amino-5-(N-guanidino-C-methyl-carbonimidoyl)phenyl]ethylideneamino]guanidine
  • 2-[1-[3-amino-5-[(1E)-1-(diaminomethylenehydrazono)ethyl]phenyl]ethylideneamino]guanidine
  • 2-[1-[3-amino-5-[N-(diaminomethylideneamino)-C-methyl-carbonimidoyl]phenyl]ethylideneamino]guanidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens furin (paired basic amino acid cleaving enzyme) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127788 All targets in OG5_127788
Echinococcus granulosus furin Get druggable targets OG5_127788 All targets in OG5_127788
Brugia malayi celfurPC protein Get druggable targets OG5_127788 All targets in OG5_127788
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) Get druggable targets OG5_127788 All targets in OG5_127788
Candida albicans subtilisin-like endoprotease involved in processing C. albicans Sap2 Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma japonicum Furin-like protease 1, isoforms 1/1-X/2 precursor, putative Get druggable targets OG5_127788 All targets in OG5_127788
Brugia malayi endoprotease bli-4 precursor Get druggable targets OG5_127788 All targets in OG5_127788
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Get druggable targets OG5_127788 All targets in OG5_127788
Loa Loa (eye worm) endoprotease bli-4 Get druggable targets OG5_127788 All targets in OG5_127788
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Get druggable targets OG5_127788 All targets in OG5_127788
Giardia lamblia High cysteine membrane protein Group 2 Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma japonicum Endoprotease bli-4 precursor, putative Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma japonicum Proprotein convertase subtilisin/kexin type 6 precursor, putative Get druggable targets OG5_127788 All targets in OG5_127788
Candida albicans subtilisin-like endoprotease involved in processing C. albicans Sap2 Get druggable targets OG5_127788 All targets in OG5_127788
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 Get druggable targets OG5_127788 All targets in OG5_127788
Echinococcus multilocularis Get druggable targets OG5_127788 All targets in OG5_127788
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
Schistosoma mansoni furin-1 (S08 family) 0.0077 0.1665 0.27
Brugia malayi hypothetical protein 0.0262 0.998 1
Loa Loa (eye worm) endoprotease bli-4 0.0177 0.6167 0.618
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0 0.5
Loa Loa (eye worm) RNA binding protein 0.007 0.1355 0.1358
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1224 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0108 0.3042 0.3042
Schistosoma mansoni tar DNA-binding protein 0.007 0.1355 0.2197
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0108 0.3042 0.3048
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.0081 0.0081
Trypanosoma cruzi hypothetical protein, conserved 0.004 0 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0262 0.998 1
Echinococcus multilocularis tar DNA binding protein 0.007 0.1355 0.1358
Brugia malayi celfurPC protein 0.0143 0.4626 0.4635
Echinococcus granulosus Furin 1 0.0042 0.0081 0.0081
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0177 0.6167 1
Echinococcus multilocularis Furin 1 0.0042 0.0081 0.0081
Loa Loa (eye worm) proprotein convertase 2 0.0042 0.0081 0.0081
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.1224 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.6167 0.618
Echinococcus granulosus lysosomal alpha glucosidase 0.018 0.6316 0.6329
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.1224 0.1226
Onchocerca volvulus 0.0104 0.2893 0.2438
Loa Loa (eye worm) hypothetical protein 0.0069 0.1324 0.1327
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.0081 0.0081
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.0081 0.0081
Schistosoma mansoni tar DNA-binding protein 0.007 0.1355 0.2197
Giardia lamblia High cysteine membrane protein Group 2 0.0066 0.116 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.018 0.6316 0.6329
Schistosoma mansoni tar DNA-binding protein 0.007 0.1355 0.2197
Echinococcus granulosus tar DNA binding protein 0.007 0.1355 0.1358
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.0081 0.0081
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0108 0.3042 0.3042
Brugia malayi TAR-binding protein 0.007 0.1355 0.1358
Echinococcus multilocularis 0.0143 0.4626 0.4635
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.0081 0.0081
Echinococcus multilocularis lysosomal alpha glucosidase 0.018 0.6316 0.6329
Echinococcus multilocularis lysosomal alpha glucosidase 0.018 0.6316 0.6329
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.1224 0.1985
Brugia malayi RNA recognition motif domain containing protein 0.007 0.1355 0.1358
Trichomonas vaginalis set domain proteins, putative 0.0262 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.1224 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.004 0 0.5
Trypanosoma brucei glucosidase, putative 0.004 0 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0262 0.998 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.1355 0.1358
Echinococcus granulosus neuroendocrine convertase 2 0.0111 0.3206 0.3213
Brugia malayi Pre-SET motif family protein 0.023 0.8568 0.8585
Echinococcus granulosus survival motor neuron protein 1 0.0262 0.998 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1224 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.1224 0.1226
Brugia malayi neuroendocrine convertase 1 precursor 0.0111 0.3206 0.3213
Schistosoma mansoni tar DNA-binding protein 0.007 0.1355 0.2197
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.8568 0.8585
Brugia malayi RNA binding protein 0.007 0.1355 0.1358
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.1224 0.1985
Brugia malayi endoprotease bli-4 precursor 0.0177 0.6167 0.618
Schistosoma mansoni survival motor neuron protein 0.0053 0.0602 0.0976
Schistosoma mansoni alpha-glucosidase 0.0155 0.5185 0.8408
Schistosoma mansoni alpha-glucosidase 0.0155 0.5185 0.8408
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0602 0.0603
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.1224 1
Schistosoma mansoni hypothetical protein 0.0053 0.0602 0.0976
Brugia malayi proprotein convertase 2 0.0111 0.3206 0.3213
Echinococcus granulosus furin 0.0177 0.6167 0.618
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1224 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.0111 0.3206 0.3213
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.0081 0.0081
Brugia malayi Glycosyl hydrolases family 31 protein 0.018 0.6316 0.6329
Schistosoma mansoni tar DNA-binding protein 0.007 0.1355 0.2197
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0042 0.0081 0.0131
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0108 0.3042 0.3048
Loa Loa (eye worm) TAR-binding protein 0.007 0.1355 0.1358

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.82 uM Inhibition of human recombinant furin by fluorescence plate reader analysis ChEMBL. 21168329

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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