Detailed information for compound 1541780

Basic information

Technical information
  • TDR Targets ID: 1541780
  • Name: N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-[(3-me thyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino] butanamide
  • MW: 465.95 | Formula: C21H24ClN3O5S
  • H donors: 2 H acceptors: 4 LogP: 3.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(C(=O)NCCc1ccc(cc1)Cl)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C
  • InChi: 1S/C21H24ClN3O5S/c1-13(2)19(20(26)23-11-10-14-4-6-15(22)7-5-14)24-31(28,29)16-8-9-17-18(12-16)30-21(27)25(17)3/h4-9,12-13,19,24H,10-11H2,1-3H3,(H,23,26)
  • InChiKey: SAQBJBGNSYRBLU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-chlorophenyl)ethyl]-2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-3-methyl-butyramide
  • C562-1639
  • NCGC00110142-01

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
Leishmania major DNA polymerase kappa, putative 0.0039 0.2088 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.4744 0.4744
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 1 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0067 0.7395 0.6708
Echinococcus granulosus sentrin specific protease 8 0.0067 0.7395 0.6708
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.4744 0.3357
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0067 0.7395 1
Trypanosoma brucei DNA polymerase eta, putative 0.0039 0.2088 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 1 1
Loa Loa (eye worm) Ulp1 protease 0.0067 0.7395 0.6708
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0067 0.7395 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Trypanosoma brucei unspecified product 0.0039 0.2088 0.5
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0067 0.7395 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.4744 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 1 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.2088 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.4744 1
Trichomonas vaginalis Sentrin-specific protease, putative 0.0067 0.7395 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 1 1
Giardia lamblia DINP protein human, muc B family 0.0039 0.2088 0.5
Trypanosoma cruzi hypothetical protein 0.0067 0.7395 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0067 0.7395 0.6708
Leishmania major DNA polymerase eta, putative 0.0039 0.2088 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.4744 0.3357
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.2088 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0067 0.7395 1
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.2088 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 1 0.5
Echinococcus multilocularis sentrin specific protease 8 0.0067 0.7395 0.6708
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.2088 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2088 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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

No literature references available for this target.

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