Detailed information for compound 1415490

Basic information

Technical information
  • TDR Targets ID: 1415490
  • Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino ]ethyl] 3-(methyl-phenylsulfamoyl)benzoate
  • MW: 473.542 | Formula: C23H27N3O6S
  • H donors: 1 H acceptors: 5 LogP: 1.75 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COC(=O)c1cccc(c1)S(=O)(=O)N(c1ccccc1)C)NCCCN1CCCC1=O
  • InChi: 1S/C23H27N3O6S/c1-25(19-9-3-2-4-10-19)33(30,31)20-11-5-8-18(16-20)23(29)32-17-21(27)24-13-7-15-26-14-6-12-22(26)28/h2-5,8-11,16H,6-7,12-15,17H2,1H3,(H,24,27)
  • InChiKey: NDFBLFMGABSLLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-(methyl-phenyl-sulfamoyl)benzoate
  • 3-(methyl-phenylsulfamoyl)benzoic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)propylamino]ethyl] ester
  • 3-(methyl-phenyl-sulfamoyl)benzoic acid [2-keto-2-[3-(2-ketopyrrolidin-1-yl)propylamino]ethyl] ester
  • T5213415
  • MLS000774526
  • SMR000372143

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
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 cytochrome p450-like protein 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0048 1 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0534 0.0534
Echinococcus granulosus cytochrome P450 2K1 0.0048 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 1 1
Onchocerca volvulus 0.0033 0.5201 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0048 1 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0048 1 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0048 1 0.5
Echinococcus granulosus lamin 0.0033 0.5201 0.5201
Echinococcus multilocularis lamin 0.0033 0.5201 0.5201
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0048 1 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0048 1 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0048 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 1 1
Leishmania major cytochrome p450-like protein 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0048 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.5201 0.5201
Brugia malayi Cytochrome P450 family protein 0.0048 1 1
Brugia malayi intermediate filament protein 0.0033 0.5201 0.4931
Loa Loa (eye worm) hypothetical protein 0.0032 0.5017 0.5017
Mycobacterium leprae putative cytochrome p450 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0048 1 0.5
Brugia malayi cytochrome P450 0.0048 1 1
Loa Loa (eye worm) cytochrome P450 0.0048 1 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0048 1 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.5201 0.5201
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0048 1 0.5
Echinococcus multilocularis 0.0048 1 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0048 1 0.5
Loa Loa (eye worm) CYP4Cod1 0.0048 1 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0048 1 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.5201 0.5201
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0048 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0048 1 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0048 1 0.5
Echinococcus multilocularis musashi 0.0033 0.5201 0.5201
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0048 1 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.5201 0.4931
Trypanosoma brucei cytochrome P450, putative 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0048 1 0.5
Schistosoma mansoni cytochrome P450 0.0048 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0048 1 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0048 1 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0048 1 0.5
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0048 1 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.5201 0.5201
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0048 1 0.5
Brugia malayi Cytochrome P450 family protein 0.0048 1 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0048 1 0.5
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0048 1 0.5
Toxoplasma gondii cytochrome p450 superfamily protein 0.0048 1 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.5201 0.5201
Schistosoma mansoni hypothetical protein 0.0048 1 1
Echinococcus granulosus lamin dm0 0.0033 0.5201 0.5201
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0048 1 0.5
Leishmania major cytochrome p450-like protein 0.0048 1 0.5
Onchocerca volvulus 0.0033 0.5201 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0048 1 0.5
Brugia malayi Cytochrome P450 family protein 0.0048 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0048 1 0.5
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0048 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0048 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0891 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.6511 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.

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