Detailed information for compound 1562165

Basic information

Technical information
  • TDR Targets ID: 1562165
  • Name: 2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylme thyl)acetamide
  • MW: 278.709 | Formula: C14H12ClFN2O
  • H donors: 1 H acceptors: 2 LogP: 2.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1c(F)cccc1Cl)NCc1cccnc1
  • InChi: 1S/C14H12ClFN2O/c15-12-4-1-5-13(16)11(12)7-14(19)18-9-10-3-2-6-17-8-10/h1-6,8H,7,9H2,(H,18,19)
  • InChiKey: NVVRWAONAIVGBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-chloro-6-fluoro-phenyl)-N-(3-pyridylmethyl)acetamide
  • 2-(2-chloro-6-fluorophenyl)-N-(3-pyridylmethyl)acetamide
  • 2-(2-chloro-6-fluoro-phenyl)-N-(pyridin-3-ylmethyl)ethanamide
  • BAS 09534920
  • ST5287086
  • 2-(2-Chloro-6-fluoro-phenyl)-N-pyridin-3-ylmethyl-acetamide
  • ZINC00367313

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
Echinococcus multilocularis tumor protein p63 0.0319 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0492 0.0462
Echinococcus multilocularis geminin 0.0148 0.423 0.4212
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0492 0.0462
Brugia malayi follicle stimulating hormone receptor 0.0218 0.6607 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0492 0.0462
Echinococcus multilocularis musashi 0.005 0.0907 0.0879
Schistosoma mansoni lamin 0.005 0.0907 0.1111
Schistosoma mansoni aryl hydrocarbon receptor 0.0044 0.0715 0.0598
Schistosoma mansoni hypothetical protein 0.0148 0.423 1
Schistosoma mansoni hypothetical protein 0.011 0.2941 0.6551
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0492 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0055 0.1088 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0492 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0055 0.1088 0.106
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0073 0.17 0.1674
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0492 0.5
Onchocerca volvulus 0.005 0.0907 0.431
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0055 0.1088 0.106
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0054 0.1029 0.1001
Loa Loa (eye worm) CYP4Cod1 0.0045 0.0745 0.1127
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.005 0.0907 0.1373
Brugia malayi Cytochrome P450 family protein 0.0045 0.0745 0.0962
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0073 0.17 0.1674
Brugia malayi bHLH-PAS transcription factor 0.0033 0.0325 0.0315
Loa Loa (eye worm) hypothetical protein 0.005 0.0907 0.1373
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.011 0.2941 0.2919
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.1088 1
Echinococcus multilocularis jun protein 0.0073 0.17 0.1674
Loa Loa (eye worm) hypothetical protein 0.0071 0.1632 0.247
Echinococcus multilocularis thyroid hormone receptor alpha 0.0132 0.3686 0.3666
Schistosoma mansoni aldehyde dehydrogenase 0.0055 0.1088 0.1595
Onchocerca volvulus 0.0073 0.1675 1
Schistosoma mansoni jumonji domain containing protein 0.0054 0.1029 0.1437
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0492 0.0571
Echinococcus granulosus geminin 0.0148 0.423 0.4212
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0055 0.1088 0.5
Schistosoma mansoni single-minded 0.0044 0.0715 0.0598
Schistosoma mansoni hypothetical protein 0.006 0.1234 0.1986
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0218 0.6607 1
Echinococcus multilocularis lamin 0.005 0.0907 0.0879
Schistosoma mansoni cellular tumor antigen P53 0.0047 0.0793 0.0805
Echinococcus granulosus jun protein 0.0073 0.17 0.1674
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0492 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0492 0.0744
Brugia malayi Intermediate filament tail domain containing protein 0.005 0.0907 0.1212
Loa Loa (eye worm) hypothetical protein 0.0024 0.0031 0.0047
Echinococcus multilocularis L aminoadipate semialdehyde 0.0073 0.1675 0.1649
Loa Loa (eye worm) hypothetical protein 0.0032 0.0304 0.046
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0073 0.1675 0.3166
Schistosoma mansoni hypothetical protein 0.0148 0.423 1
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.0745 1
Loa Loa (eye worm) intermediate filament protein 0.005 0.0907 0.1373
Loa Loa (eye worm) hypothetical protein 0.0073 0.1675 0.2535
Loa Loa (eye worm) hypothetical protein 0.0149 0.4251 0.6433
Leishmania major cytochrome p450-like protein 0.0045 0.0745 0.4244
Trypanosoma brucei cytochrome P450, putative 0.0045 0.0745 1
Onchocerca volvulus 0.0047 0.0793 0.3464
Brugia malayi hypothetical protein 0.0058 0.1166 0.1611
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.0745 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0073 0.1675 0.2396
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0745 0.1127
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.1088 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0793 0.12
Echinococcus granulosus lamin dm0 0.005 0.0907 0.0879
Loa Loa (eye worm) jmjC domain-containing protein 0.0054 0.1029 0.1557
Onchocerca volvulus 0.005 0.0907 0.431
Echinococcus granulosus lamin 0.005 0.0907 0.0879
Onchocerca volvulus 0.0058 0.1166 0.6229
Echinococcus granulosus single minded 2 0.0033 0.0325 0.0295
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0492 0.0462
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0055 0.1088 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0137 0.386 0.5843
Brugia malayi intermediate filament protein 0.005 0.0907 0.1212
Loa Loa (eye worm) hypothetical protein 0.0049 0.0876 0.1326
Echinococcus granulosus intermediate filament protein 0.005 0.0907 0.0879
Brugia malayi jmjC domain containing protein 0.0054 0.1029 0.14
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.011 0.2941 0.2919
Brugia malayi hypoxia-induced factor 1 0.0137 0.386 0.5765
Brugia malayi jmjC domain containing protein 0.0054 0.1029 0.14
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0492 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0027 0.0121 0.0183
Brugia malayi bZIP transcription factor family protein 0.0073 0.17 0.2434
Schistosoma mansoni lamin 0.005 0.0907 0.1111
Brugia malayi Cytochrome P450 family protein 0.0045 0.0745 0.0962
Schistosoma mansoni jumonji/arid domain-containing protein 0.0054 0.1029 0.1437
Schistosoma mansoni aldehyde dehydrogenase 0.0055 0.1088 0.1595
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0745 0.1127
Brugia malayi hypothetical protein 0.0149 0.4251 0.6367
Schistosoma mansoni jumonji/arid domain-containing protein 0.0054 0.1029 0.1437
Echinococcus multilocularis lysine specific demethylase 5A 0.0054 0.1029 0.1001
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0492 0.0462
Schistosoma mansoni intermediate filament proteins 0.005 0.0907 0.1111
Echinococcus multilocularis transfer RNA-Lys 0.0033 0.0325 0.0295
Echinococcus granulosus L aminoadipate semialdehyde 0.0073 0.1675 0.1649
Schistosoma mansoni thyroid hormone receptor 0.0132 0.3686 0.8544
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0054 0.1029 0.1001
Brugia malayi PAS domain containing protein 0.0044 0.0715 0.0916
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.1088 1
Echinococcus multilocularis lamin dm0 0.005 0.0907 0.0879
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0045 0.0745 0.5501
Echinococcus granulosus lysine specific demethylase 5A 0.0054 0.1029 0.1001
Schistosoma mansoni jun-related protein 0.006 0.1234 0.1986
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0492 0.0462
Schistosoma mansoni thyroid hormone receptor 0.0132 0.3686 0.8544

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 13.1154 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) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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
Potency (functional) 112.2018 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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