Detailed information for compound 1464439

Basic information

Technical information
  • TDR Targets ID: 1464439
  • Name: 2-[1-[4-[4-[N-(diaminomethylideneamino)-C-met hylcarbonimidoyl]phenoxy]phenyl]ethylideneami no]guanidine
  • MW: 366.42 | Formula: C18H22N8O
  • H donors: 4 H acceptors: 0 LogP: 1.43 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=N\NC(=N)N)/c1ccc(cc1)Oc1ccc(cc1)/C(=N/NC(=N)N)/C
  • InChi: 1S/C18H22N8O/c1-11(23-25-17(19)20)13-3-7-15(8-4-13)27-16-9-5-14(6-10-16)12(2)24-26-18(21)22/h3-10H,1-2H3,(H4,19,20,25)(H4,21,22,26)/b23-11+,24-12+
  • InChiKey: IYZZCNSHNSLCKV-ASIDMNOUSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[1-[4-[4-(N-guanidino-C-methyl-carbonimidoyl)phenoxy]phenyl]ethylideneamino]guanidine
  • 2-[1-[4-[4-[(1E)-1-(diaminomethylenehydrazono)ethyl]phenoxy]phenyl]ethylideneamino]guanidine
  • 2-[1-[4-[4-[1-(diaminomethylenehydrazono)ethyl]phenoxy]phenyl]ethylideneamino]guanidine
  • 2-[1-[4-[4-[N-(diaminomethylideneamino)-C-methyl-carbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine

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
Trypanosoma cruzi serine sulfhydrylase 0.0139 0.459 1
Mycobacterium ulcerans cysteine synthase a CysK1 0.0139 0.459 1
Trichomonas vaginalis cysteine synthase, putative 0.0139 0.459 1
Trypanosoma cruzi cysteine synthase, putative 0.0139 0.459 1
Schistosoma mansoni cysteine synthase 0.0139 0.459 1
Toxoplasma gondii pyridoxal-phosphate dependent superfamily protein 0.0139 0.459 1
Trypanosoma cruzi cystathionine beta-synthase 0.0139 0.459 1
Brugia malayi cbs-prov protein 0.0139 0.459 1
Trypanosoma cruzi cystathionine beta-synthase, putative 0.0139 0.459 1
Mycobacterium ulcerans cystathionine beta-synthase 0.0139 0.459 1
Trichomonas vaginalis cysteine synthase, putative 0.0139 0.459 1
Brugia malayi Pyridoxal-phosphate dependent enzyme family protein 0.0139 0.459 1
Onchocerca volvulus 0.004 0 0.5
Mycobacterium tuberculosis Cysteine synthase B CysM (CSASE B) (O-phosphoserine sulfhydrylase B) (O-phosphoserine (thiol)-lyase B) 0.0139 0.459 0.459
Entamoeba histolytica cysteine synthase A, putative 0.0139 0.459 0.5
Trichomonas vaginalis threonine synthase, putative 0.0139 0.459 1
Trypanosoma cruzi serine sulfhydrylase 0.0139 0.459 1
Trypanosoma cruzi cystathionine beta-synthase, putative 0.0139 0.459 1
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0 0.5
Mycobacterium ulcerans cysteine synthase B 0.0139 0.459 1
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0139 0.459 0.459
Trypanosoma cruzi cystathionine beta-synthase 0.0139 0.459 1
Leishmania major cysteine synthase 0.0139 0.459 1
Trypanosoma cruzi cystathionine beta-synthase, putative 0.0139 0.459 1
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0139 0.459 1
Trichomonas vaginalis cysteine synthase, putative 0.0139 0.459 1
Trypanosoma cruzi cysteine synthase, putative 0.0139 0.459 1
Onchocerca volvulus 0.004 0 0.5
Schistosoma mansoni cysteine synthase 0.0139 0.459 1
Mycobacterium tuberculosis Cysteine synthase a CysK1 (O-acetylserine sulfhydrylase A) (O-acetylserine (thiol)-lyase A) (CSASE A) 0.0139 0.459 0.459
Trichomonas vaginalis cysteine synthase, putative 0.0139 0.459 1
Loa Loa (eye worm) cbs-prov protein 0.0139 0.459 1
Trichomonas vaginalis cysteine synthase, putative 0.0139 0.459 1
Entamoeba histolytica cysteine synthase A, putative 0.0139 0.459 0.5
Trichomonas vaginalis threonine synthase, putative 0.0139 0.459 1
Entamoeba histolytica cysteine synthase A, putative 0.0139 0.459 0.5
Onchocerca volvulus 0.004 0 0.5
Trypanosoma cruzi cystathionine beta-synthase 0.0139 0.459 1
Trypanosoma cruzi serine sulfhydrylase 0.0139 0.459 1
Trypanosoma cruzi serine sulfhydrylase 0.0139 0.459 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0 0.5
Mycobacterium leprae PROBABLE CYSTEINE SYNTHASE A CYSK (O-ACETYLSERINE SULFHYDRYLASE A) (O-ACETYLSERINE (THIOL)-LYASE A) (CSASE A) 0.0139 0.459 1
Toxoplasma gondii CBS family protein 0.0139 0.459 1
Trypanosoma brucei cystathionine beta-synthase, putative 0.0139 0.459 1
Plasmodium vivax hypothetical protein, conserved 0.004 0 0.5
Trichomonas vaginalis cysteine synthase, putative 0.0139 0.459 1
Leishmania major cystathionine beta-synthase 0.0139 0.459 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 44 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.