Detailed information for compound 36074

Basic information

Technical information
  • TDR Targets ID: 36074
  • Name: 4-[4-(4-carbamimidoylphenoxy)phenoxy]benzenec arboximidamide
  • MW: 346.383 | Formula: C20H18N4O2
  • H donors: 2 H acceptors: 0 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)C(=N)N
  • InChi: 1S/C20H18N4O2/c21-19(22)13-1-5-15(6-2-13)25-17-9-11-18(12-10-17)26-16-7-3-14(4-8-16)20(23)24/h1-12H,(H3,21,22)(H3,23,24)
  • InChiKey: JARPXSXRDFAPLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(4-carbamimidoylphenoxy)phenoxy]benzamidine
  • 4-[4-(4-amidinophenoxy)phenoxy]benzamidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References
Homo sapiens plasminogen activator, urokinase Starlite/ChEMBL References
Homo sapiens suppression of tumorigenicity 14 (colon carcinoma) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Mastin plasminogen activator, urokinase 414 aa 340 aa 24.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0057 1 0.5
Toxoplasma gondii kringle domain-containing protein 0.0057 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Brugia malayi Kringle domain containing protein 0.0057 1 1
Schistosoma mansoni hypothetical protein 0.0025 0.1396 0.1396
Leishmania major hypothetical protein, conserved 0.0057 1 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0057 1 1
Onchocerca volvulus 0.0057 1 1
Echinococcus multilocularis tissue type plasminogen activator 0.0057 1 0.5
Echinococcus granulosus tissue type plasminogen activator 0.0057 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0057 1 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.0057 1 0.5
Schistosoma mansoni hypothetical protein 0.0057 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 200 nM Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide ChEMBL. 24794746
Ki (binding) = 208 nM compound was tested for inhibitory activity against Matriptase ChEMBL. 11311057
Ki (binding) = 208 nM compound was tested for inhibitory activity against Matriptase ChEMBL. 11311057
Ki (binding) = 1950 nM compound was tested for inhibitory activity against Urokinase-type plasminogen activator(microPa) ChEMBL. 11311057
Ki (binding) = 1950 nM compound was tested for inhibitory activity against Urokinase-type plasminogen activator(microPa) ChEMBL. 11311057
Ki (binding) = 2670 nM compound was tested for inhibitory activity against Thrombin ChEMBL. 11311057
Ki (binding) = 2670 nM compound was tested for inhibitory activity against Thrombin ChEMBL. 11311057

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

2 literature references were collected for this gene.

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