Detailed information for compound 1203839

Basic information

Technical information
  • TDR Targets ID: 1203839
  • Name: N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorobenz oyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]ace tamide
  • MW: 463.888 | Formula: C25H19ClFN3O3
  • H donors: 1 H acceptors: 4 LogP: 4.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1cc(C(=O)c2ccc(cc2)F)c(=O)c2c1nc(C)cc2)NCc1ccccc1Cl
  • InChi: 1S/C25H19ClFN3O3/c1-15-6-11-19-24(33)20(23(32)16-7-9-18(27)10-8-16)13-30(25(19)29-15)14-22(31)28-12-17-4-2-3-5-21(17)26/h2-11,13H,12,14H2,1H3,(H,28,31)
  • InChiKey: HNVYQZLXRJAXAR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-chlorophenyl)methyl]-2-[3-[(4-fluorophenyl)-oxomethyl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
  • N-(2-chlorobenzyl)-2-[3-(4-fluorobenzoyl)-4-keto-7-methyl-1,8-naphthyridin-1-yl]acetamide
  • N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)carbonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]ethanamide
  • NCGC00127625-01
  • E999-0363

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
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
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1072 0.1072
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.8371 1
Loa Loa (eye worm) acetyltransferase 0.0175 0.6085 0.7268
Brugia malayi hypothetical protein 0.0235 0.8371 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1072 0.128
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1072 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1213 1
Schistosoma mansoni hypothetical protein 0.0109 0.3576 0.5876
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.5898 0.7045
Echinococcus multilocularis muscleblind protein 0.0148 0.5073 0.606
Mycobacterium ulcerans beta-lactamase 0.0043 0.1072 0.5
Onchocerca volvulus 0.0048 0.1242 1
Brugia malayi beta-lactamase family protein 0.0043 0.1072 0.128
Echinococcus granulosus geminin 0.0165 0.5688 0.6795
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1072 0.5
Echinococcus granulosus muscleblind protein 0.0148 0.5073 0.606
Entamoeba histolytica hypothetical protein 0.0109 0.3576 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1376 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1376 1
Brugia malayi Muscleblind-like protein 0.0148 0.5073 0.606
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1072 0.1072
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1072 0.1762
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1072 0.128
Brugia malayi hypothetical protein 0.0109 0.3576 0.4271
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0109 0.3576 0.4271
Mycobacterium leprae Probable lipase LipE 0.0043 0.1072 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1376 0.1644
Entamoeba histolytica hypothetical protein 0.0109 0.3576 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1072 0.128
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.8371 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1072 0.128
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1213 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.6085 0.7268
Schistosoma mansoni transcription factor LCR-F1 0.0109 0.3576 0.5876
Mycobacterium tuberculosis Conserved protein 0.0043 0.1072 0.1072
Schistosoma mansoni survival motor neuron protein 0.0048 0.1242 0.2041
Leishmania major hypothetical protein, conserved 0.0043 0.1072 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1072 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1376 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1072 0.128
Entamoeba histolytica hypothetical protein 0.0109 0.3576 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.8371 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.5073 0.606
Loa Loa (eye worm) beta-lactamase 0.0043 0.1072 0.128
Mycobacterium tuberculosis Conserved protein 0.0043 0.1072 0.1072
Loa Loa (eye worm) hypothetical protein 0.0043 0.1072 0.128
Loa Loa (eye worm) hypothetical protein 0.0043 0.1072 0.128
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.6085 0.7268
Schistosoma mansoni hypothetical protein 0.0165 0.5688 0.9348
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1072 0.1072
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1072 0.1762
Brugia malayi beta-lactamase 0.0043 0.1072 0.128
Loa Loa (eye worm) hypothetical protein 0.0148 0.5073 0.606
Mycobacterium tuberculosis Conserved protein 0.0043 0.1072 0.1072
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1376 1
Brugia malayi beta-lactamase family protein 0.0043 0.1072 0.128
Schistosoma mansoni hypothetical protein 0.0165 0.5688 0.9348
Schistosoma mansoni hypothetical protein 0.0048 0.1242 0.2041
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1072 0.1072
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1072 0.7787
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1072 0.128
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1072 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1072 0.1072
Entamoeba histolytica hypothetical protein 0.0109 0.3576 1
Echinococcus multilocularis geminin 0.0165 0.5688 0.6795
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1072 0.128
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1072 0.1072
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1072 0.5
Mycobacterium ulcerans lipase LipD 0.0043 0.1072 0.5
Mycobacterium ulcerans hypothetical protein 0.0043 0.1072 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.6085 1
Toxoplasma gondii ABC1 family protein 0.0043 0.1072 0.7787
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0109 0.3576 0.4271
Echinococcus multilocularis muscleblind protein 1 0.0148 0.5073 0.606
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1376 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1072 0.1072
Loa Loa (eye worm) hypothetical protein 0.0043 0.1072 0.128
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1242 0.1484
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1072 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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.

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