Detailed information for compound 335001

Basic information

Technical information
  • TDR Targets ID: 335001
  • Name: N-[(2S)-5-(diaminomethylideneamino)-1-(diethy lamino)-1-oxopentan-2-yl]-3-[2-(2,4-dichlorop henyl)ethoxy]-4-methoxybenzamide
  • MW: 552.493 | Formula: C26H35Cl2N5O4
  • H donors: 3 H acceptors: 2 LogP: 3.82 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)OCCc1ccc(cc1Cl)Cl)OC)CCCN=C(N)N)CC
  • InChi: 1S/C26H35Cl2N5O4/c1-4-33(5-2)25(35)21(7-6-13-31-26(29)30)32-24(34)18-9-11-22(36-3)23(15-18)37-14-12-17-8-10-19(27)16-20(17)28/h8-11,15-16,21H,4-7,12-14H2,1-3H3,(H,32,34)(H4,29,30,31)/t21-/m0/s1
  • InChiKey: OFZAUYABIXXPNV-NRFANRHFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1S)-1-(diethylcarbamoyl)-4-guanidino-butyl]-4-methoxy-benzamide
  • 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1S)-1-[diethylamino(oxo)methyl]-4-guanidinobutyl]-4-methoxybenzamide
  • N-[(2S)-5-[bis(azanyl)methylideneamino]-1-(diethylamino)-1-oxo-pentan-2-yl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-benzamide
  • N-[(2S)-5-(diaminomethylideneamino)-1-diethylamino-1-oxopentan-2-yl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
  • 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1S)-1-(diethylamino-oxomethyl)-4-guanidinobutyl]-4-methoxybenzamide
  • N-[(2S)-5-(diaminomethylideneamino)-1-diethylamino-1-oxo-pentan-2-yl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor X 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi protein farnesyltransferase, putative 0.0364 0.627 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0099 0 0.5
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0364 0.627 0.627
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0364 0.627 1
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0364 0.627 0.627
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0364 0.627 0.627
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0522 1 1
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0364 0.627 0.627
Loa Loa (eye worm) hypothetical protein 0.0522 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0135 0.0864 0.0864
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0522 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0522 1 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0364 0.627 0.627
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0135 0.0864 0.0864
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0135 0.0864 0.0864
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0522 1 1
Onchocerca volvulus 0.0135 0.0864 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0135 0.0864 0.1377
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0135 0.0864 0.0864
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0135 0.0864 0.0864
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0522 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0522 1 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0135 0.0864 0.0864
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0364 0.627 0.627
Giardia lamblia Rab geranylgeranyltransferase 0.0522 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0135 0.0864 0.1377
Giardia lamblia Rab geranylgeranyltransferase 0.0135 0.0864 0.0864
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0135 0.0864 0.1377
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0135 0.0864 0.0864
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0522 1 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0135 0.0864 0.1377
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0364 0.627 0.627
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0135 0.0864 0.1377
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0135 0.0864 0.1377
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0364 0.627 0.627
Toxoplasma gondii hypothetical protein 0.0386 0.6802 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0135 0.0864 0.1377
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0265 0.3936 0.3936
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0135 0.0864 0.1377
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0364 0.627 0.627
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0364 0.627 0.627
Trypanosoma cruzi hypothetical protein, conserved 0.0135 0.0864 0.1377
Toxoplasma gondii hypothetical protein 0.0135 0.0864 0.127
Trypanosoma cruzi protein farnesyltransferase, putative 0.0364 0.627 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0522 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0135 0.0864 0.0864
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0386 0.6802 0.6802
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0135 0.0864 0.0864
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0364 0.627 0.627
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0364 0.627 0.627
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0364 0.627 0.627
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0135 0.0864 0.0864
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0364 0.627 0.9218
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0135 0.0864 0.0864
Leishmania major farnesyltransferase beta subunit 0.0364 0.627 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0364 0.627 0.627
Giardia lamblia Prenyltransferase 0.0364 0.627 0.627
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0522 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0522 1 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0135 0.0864 0.1377

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.153 uM Binding affinity towards human Coagulation factor X ChEMBL. 15857135
Ki (binding) = 0.153 uM Binding affinity towards human Coagulation factor X ChEMBL. 15857135

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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