Detailed information for compound 1422304

Basic information

Technical information
  • TDR Targets ID: 1422304
  • Name: [1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-y l] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
  • MW: 531.987 | Formula: C20H22ClN3O8S2
  • H donors: 2 H acceptors: 6 LogP: 1.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C(OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)Cl)C)Nc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C20H22ClN3O8S2/c1-13(19(25)23-15-3-5-16(6-4-15)33(22,27)28)32-20(26)14-2-7-17(21)18(12-14)34(29,30)24-8-10-31-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,23,25)(H2,22,27,28)
  • InChiKey: RKEOQMATJWKWBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [1-methyl-2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl] 4-chloro-3-morpholinosulfonyl-benzoate
  • 4-chloro-3-morpholinosulfonylbenzoic acid [1-methyl-2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl] ester
  • 4-chloro-3-morpholinosulfonyl-benzoic acid [2-keto-1-methyl-2-[(4-sulfamoylphenyl)amino]ethyl] ester
  • [1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-chloro-3-morpholin-4-ylsulfonyl-benzoate

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
Loa Loa (eye worm) hypothetical protein 0.0071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.5 0.5
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0071 0.5 0.5
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0071 0.5 0.5
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0071 0.5 0.5
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0071 0.5 0.5
Echinococcus multilocularis aspartyl aminopeptidase 0.0071 0.5 0.5
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0071 0.5 0.5
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0071 0.5 0.5
Loa Loa (eye worm) aspartyl aminopeptidase 0.0071 0.5 0.5
Entamoeba histolytica aminopeptidase, putative 0.0071 0.5 0.5
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0071 0.5 0.5
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0071 0.5 0.5
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0071 0.5 0.5
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0071 0.5 0.5
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0071 0.5 0.5
Echinococcus granulosus aspartyl aminopeptidase 0.0071 0.5 0.5
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0071 0.5 0.5
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0071 0.5 0.5
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0071 0.5 0.5
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0071 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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