Detailed information for compound 176684

Basic information

Technical information
  • TDR Targets ID: 176684
  • Name: 4-chloro-N-[N'-(4-phenylbutyl)carbamimidoyl]b enzamide
  • MW: 329.824 | Formula: C18H20ClN3O
  • H donors: 2 H acceptors: 1 LogP: 4.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: N=C(NC(=O)c1ccc(cc1)Cl)NCCCCc1ccccc1
  • InChi: 1S/C18H20ClN3O/c19-16-11-9-15(10-12-16)17(23)22-18(20)21-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H3,20,21,22,23)
  • InChiKey: OMWCMLUPDMDENE-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[amino(4-phenylbutylimino)methyl]-4-chlorobenzamide
  • 4-chloro-N-[N'-(4-phenylbutyl)amidino]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sodium channel, voltage-gated, type V, alpha subunit Starlite/ChEMBL References
Homo sapiens sodium channel, voltage-gated, type II, alpha subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania major calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania infantum calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania mexicana calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania donovani calcium channel protein, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus multilocularis sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819

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 multilocularis histone deacetylase 7 0.4261 0.9381 0.9381
Brugia malayi Histone deacetylase family protein 0.4261 0.9381 1
Trypanosoma cruzi histone deacetylase 1, putative 0.3768 0.8224 0.8767
Schistosoma mansoni histone deacetylase 4 5 0.4261 0.9381 0.9381
Echinococcus granulosus histone deacetylase 6 0.4261 0.9381 0.9381
Plasmodium vivax histone deacetylase, putative 0.1824 0.3661 0.3903
Brugia malayi Histone deacetylase family protein 0.4261 0.9381 1
Loa Loa (eye worm) hypothetical protein 0.2701 0.572 0.6097
Plasmodium falciparum histone deacetylase 1 0.3768 0.8224 0.8767
Plasmodium vivax histone deacetylase, putative 0.4261 0.9381 1
Schistosoma mansoni histone deacetylase hda2 0.4525 1 1
Toxoplasma gondii histone deacetylase HDAC4 0.1824 0.3661 0.3903
Echinococcus multilocularis histone deacetylase 3 0.3768 0.8224 0.8224
Loa Loa (eye worm) histone deacetylase 0.4261 0.9381 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.3768 0.8224 1
Loa Loa (eye worm) histone deacetylase 7A 0.4261 0.9381 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.3768 0.8224 1
Plasmodium vivax histone deacetylase 1, putative 0.3768 0.8224 0.8767
Trypanosoma cruzi histone deacetylase, putative 0.1824 0.3661 0.3903
Trichomonas vaginalis histone deacetylase, putative 0.3768 0.8224 1
Loa Loa (eye worm) hypothetical protein 0.2438 0.5101 0.5438
Trypanosoma brucei histone deacetylase, putative 0.4261 0.9381 1
Echinococcus granulosus histone deacetylase 3 0.3768 0.8224 0.8224
Trichomonas vaginalis histone deacetylase, putative 0.3768 0.8224 1
Leishmania major histone deacetylase, putative 0.4261 0.9381 1
Trypanosoma cruzi histone deacetylase, putative 0.4261 0.9381 1
Schistosoma mansoni histone deacetylase 4 5 0.4261 0.9381 0.9381
Brugia malayi histone deacetylase 3 (HD3) 0.3768 0.8224 0.8767
Trichomonas vaginalis histone deacetylase, putative 0.3768 0.8224 1
Brugia malayi histone deacetylase 11 0.1824 0.3661 0.3903
Plasmodium falciparum histone deacetylase 2 0.4261 0.9381 1
Trypanosoma brucei histone deacetylase 1 0.3768 0.8224 0.8767
Schistosoma mansoni histone deacetylase hda2 0.1824 0.3661 0.3661
Brugia malayi Histone deacetylase 1 0.3768 0.8224 0.8767
Entamoeba histolytica histone deacetylase, putative 0.3768 0.8224 1
Leishmania major histone deacetylase, putative 0.3768 0.8224 0.8767
Trypanosoma brucei histone deacetylase 4 0.4261 0.9381 1
Plasmodium vivax histone deacetylase 2, putative 0.4261 0.9381 1
Trypanosoma cruzi histone deacetylase 1, putative 0.3768 0.8224 0.8767
Trypanosoma brucei histone deacetylase 3 0.4261 0.9381 1
Toxoplasma gondii histone deacetylase HDAC3 0.3768 0.8224 0.8767
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.3768 0.8224 1
Giardia lamblia Histone deacetylase 0.3768 0.8224 1
Echinococcus multilocularis histone deacetylase 8 0.1824 0.3661 0.3661
Trypanosoma brucei histone deacetylase 2 0.1824 0.3661 0.3903
Echinococcus granulosus histone deacetylase 6 0.4261 0.9381 0.9381
Toxoplasma gondii histone deacetylase HDAC1 0.4261 0.9381 1
Leishmania major histone deacetylase, putative 0.4261 0.9381 1
Echinococcus multilocularis histone deacetylase 0.4261 0.9381 0.9381
Echinococcus multilocularis histone deacetylase 6 0.4261 0.9381 0.9381
Loa Loa (eye worm) histone deacetylase 3 0.3768 0.8224 0.8767
Trichomonas vaginalis histone deacetylase, putative 0.3768 0.8224 1
Leishmania major histone deacetylase, putative 0.3768 0.8224 0.8767
Echinococcus granulosus histone deacetylase 8 0.1824 0.3661 0.3661
Echinococcus multilocularis histone deacetylase 6 0.4525 1 1
Trichomonas vaginalis histone deacetylase, putative 0.3768 0.8224 1
Schistosoma mansoni histone deacetylase 0.3768 0.8224 0.8224
Echinococcus granulosus histone deacetylase 1 0.3768 0.8224 0.8224
Trypanosoma cruzi histone deacetylase, putative 0.4261 0.9381 1
Plasmodium falciparum histone deacetylase, putative 0.4261 0.9381 1
Echinococcus multilocularis histone deacetylase 6 0.4261 0.9381 0.9381
Trypanosoma cruzi histone deacetylase, putative 0.1824 0.3661 0.3903
Brugia malayi histone deacetylase 1 (HD1) 0.3768 0.8224 0.8767
Schistosoma mansoni histone deacetylase 1 2 3 0.1824 0.3661 0.3661
Toxoplasma gondii histone deacetylase HDAC2 0.3768 0.8224 0.8767
Loa Loa (eye worm) histone deacetylase 11 0.1824 0.3661 0.3903
Loa Loa (eye worm) hypothetical protein 0.1824 0.3661 0.3903
Loa Loa (eye worm) hypothetical protein 0.3768 0.8224 0.8767
Trichomonas vaginalis histone deacetylase, putative 0.3768 0.8224 1
Loa Loa (eye worm) histone deacetylase 1 0.3768 0.8224 0.8767
Schistosoma mansoni histone deacetylase 0.3768 0.8224 0.8224
Echinococcus granulosus histone deacetylase 0.4261 0.9381 0.9381
Echinococcus granulosus histone deacetylase 7 0.4261 0.9381 0.9381
Trypanosoma cruzi histone deacetylase, putative 0.4261 0.9381 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.1824 0.3661 1
Toxoplasma gondii histone deacetylase HDAC5 0.1824 0.3661 0.3903
Echinococcus multilocularis histone deacetylase 1 0.3768 0.8224 0.8224

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.6 uM Inhibition of sodium channel blockade in CHO cells expressing human cardiac (hHI) sodium channel ChEMBL. 11720863
IC50 (binding) = 3.6 uM Inhibition of sodium channel blockade in CHO cells expressing human cardiac (hHI) sodium channel ChEMBL. 11720863
IC50 (binding) = 4.3 uM Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel ChEMBL. 11720863
IC50 (binding) = 4.3 uM Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel ChEMBL. 11720863

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.