Detailed information for compound 1354865

Basic information

Technical information
  • TDR Targets ID: 1354865
  • Name: N-(3-chloro-2-morpholin-4-ylphenyl)-2,3,5,6-t etrafluoro-4-methoxybenzamide
  • MW: 418.77 | Formula: C18H15ClF4N2O3
  • H donors: 1 H acceptors: 1 LogP: 3.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(F)c(F)c(c(c1F)F)C(=O)Nc1cccc(c1N1CCOCC1)Cl
  • InChi: 1S/C18H15ClF4N2O3/c1-27-17-14(22)12(20)11(13(21)15(17)23)18(26)24-10-4-2-3-9(19)16(10)25-5-7-28-8-6-25/h2-4H,5-8H2,1H3,(H,24,26)
  • InChiKey: XEKSPVOVAOAEAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-2-morpholino-phenyl)-2,3,5,6-tetrafluoro-4-methoxy-benzamide
  • N-(3-chloro-2-morpholinophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
  • N-(3-chloro-2-morpholin-4-yl-phenyl)-2,3,5,6-tetrafluoro-4-methoxy-benzamide
  • MLS000052606
  • N-[3-chloro-2-(4-morpholinyl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
  • SMR000082155
  • ZINC02883493

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
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 bromodomain adjacent to zinc finger domain 0.0072 0.0563 0.0537
Onchocerca volvulus Putative GMP reductase 0.0372 0.414 0.5
Brugia malayi GMP reductase 0.0372 0.414 0.4104
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0863 1 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0863 1 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.022 0.0193
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.022 0.0193
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0863 1 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0863 1 0.5
Loa Loa (eye worm) GMP reductase 0.0372 0.414 0.414
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0863 1 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.0615 0.0615
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0842 0.9746 0.5
Leishmania major guanosine monophosphate reductase 0.0863 1 0.5
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0372 0.414 0.4104
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0863 1 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0842 0.9746 0.9548
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0372 0.414 0.4104
Trypanosoma brucei GMP reductase 0.0863 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0256 0.0256
Leishmania major inosine-5-monophosphate dehydrogenase 0.0863 1 0.5
Loa Loa (eye worm) IMP dehydrogenase 1 0.0863 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0028 0.0028
Brugia malayi Bromodomain containing protein 0.0046 0.0255 0.0194
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0863 1 1
Trypanosoma cruzi GMP reductase 0.0863 1 0.5
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0863 1 1
Toxoplasma gondii IMP dehydrogenas 0.0863 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0722 0.0722
Trypanosoma cruzi GMP reductase 0.0863 1 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0563 0.0537
Brugia malayi Bromodomain containing protein 0.0091 0.0783 0.0726
Loa Loa (eye worm) hypothetical protein 0.0049 0.029 0.029
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.047 0.5309 0.1633
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0842 0.9746 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0317 0.0317
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0863 1 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0863 1 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0863 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.526 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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 MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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