Detailed information for compound 1317625

Basic information

Technical information
  • TDR Targets ID: 1317625
  • Name: 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-nap hthyridin-1-yl]-N-cyclohexylacetamide
  • MW: 437.919 | Formula: C24H24ClN3O3
  • H donors: 1 H acceptors: 4 LogP: 4.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)c1cn(CC(=O)NC2CCCCC2)c2c(c1=O)ccc(n2)C
  • InChi: 1S/C24H24ClN3O3/c1-15-7-12-19-23(31)20(22(30)16-8-10-17(25)11-9-16)13-28(24(19)26-15)14-21(29)27-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,27,29)
  • InChiKey: VDWPNHHGTAUCKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-cyclohexyl-acetamide
  • 2-[3-[(4-chlorophenyl)-oxomethyl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-cyclohexylacetamide
  • 2-[3-(4-chlorobenzoyl)-4-keto-7-methyl-1,8-naphthyridin-1-yl]-N-cyclohexyl-acetamide
  • 2-[3-(4-chlorophenyl)carbonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-cyclohexyl-ethanamide
  • E999-0281
  • NCGC00127593-01

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi acetyltransferase, GNAT family protein 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
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase 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
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 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
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase 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
Giardia lamblia Histone acetyltransferase GCN5 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
Trichomonas vaginalis bromodomain-containing protein, putative 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
Echinococcus granulosus histone acetyltransferase KAT2B 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
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative 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
Babesia bovis histone acetyltransferase 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
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) 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
Echinococcus granulosus histone acetyltransferase KAT2B 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
Plasmodium berghei histone acetyltransferase GCN5, 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Schistosoma mansoni transcription factor LCR-F1 0.0226 0.0638 0.1465
Brugia malayi MH1 domain containing protein 0.0206 0.0571 0.0571
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.045 0.1015
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.038 0.1151 0.2695
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0101 0.0218 0.0459
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0346 0.1038 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0101 0.0218 0.2447
Echinococcus multilocularis isocitrate dehydrogenase 0.0101 0.0218 0.0459
Brugia malayi hypothetical protein 0.0055 0.0065 0.0065
Brugia malayi MH2 domain containing protein 0.0092 0.019 0.019
Echinococcus granulosus mothers against decapentaplegic 6 0.0092 0.019 0.0391
Loa Loa (eye worm) MH1 domain-containing protein 0.0092 0.019 0.0163
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0227 0.0639 0.7826
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0227 0.0639 0.7826
Entamoeba histolytica hypothetical protein 0.0226 0.0638 0.1046
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0101 0.0218 0.1795
Brugia malayi MH1 domain containing protein 0.0114 0.0263 0.0263
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0092 0.019 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0053 0.0264
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0346 0.1038 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0346 0.1038 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1015 0.3273 0.3255
Loa Loa (eye worm) hypothetical protein 0.0114 0.0263 0.0237
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0321 0.0955 0.2225
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0101 0.0218 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0092 0.019 0.0163
Schistosoma mansoni Smad4 0.0092 0.019 0.0391
Loa Loa (eye worm) isocitrate dehydrogenase 0.0101 0.0218 0.0192
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0101 0.0218 0.0459
Toxoplasma gondii isocitrate dehydrogenase 0.0101 0.0218 0.1895
Loa Loa (eye worm) transcription factor SMAD2 0.3028 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1015 0.3273 0.3273
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0346 0.1038 0.5
Loa Loa (eye worm) hypothetical protein 0.0694 0.22 0.2179
Brugia malayi beta-lactamase 0.0043 0.0027 0.0027
Entamoeba histolytica hypothetical protein 0.0501 0.1554 0.2648
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0027 0.0027
Brugia malayi MH1 domain containing protein 0.0114 0.0263 0.0263
Echinococcus granulosus Smad4 0.0206 0.0571 0.1305
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.038 0.1151 0.2695
Brugia malayi RNA recognition motif domain containing protein 0.1291 0.4197 0.4197
Brugia malayi TAR-binding protein 0.1291 0.4197 0.4197
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0065 0.0261
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0226 0.0638 0.1465
Schistosoma mansoni tar DNA-binding protein 0.1291 0.4197 1
Schistosoma mansoni Smad4 0.0206 0.0571 0.1305
Schistosoma mansoni smad 0.0092 0.019 0.0391
Schistosoma mansoni hypothetical protein 0.0321 0.0955 0.2225
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0321 0.0955 0.2225
Loa Loa (eye worm) acetyltransferase 0.0175 0.0466 0.0441
Schistosoma mansoni smad1 5 8 and 0.0206 0.0571 0.1305
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0101 0.0218 1
Brugia malayi beta-lactamase family protein 0.0043 0.0027 0.0027
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0065 0.0261
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0346 0.1038 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.1015 0.3273 0.3273
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0346 0.1038 1
Schistosoma mansoni tar DNA-binding protein 0.1291 0.4197 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0101 0.0218 1
Loa Loa (eye worm) hypothetical protein 0.0346 0.1038 0.1014
Schistosoma mansoni tar DNA-binding protein 0.1291 0.4197 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0346 0.1038 1
Brugia malayi beta-lactamase family protein 0.0043 0.0027 0.0027
Brugia malayi Isocitrate dehydrogenase 0.0101 0.0218 0.0218
Loa Loa (eye worm) MH1 domain-containing protein 0.0206 0.0571 0.0546
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.081 1
Toxoplasma gondii isocitrate dehydrogenase 0.0101 0.0218 0.1895
Echinococcus granulosus mothers against decapentaplegic 5 0.0206 0.0571 0.1305
Echinococcus multilocularis peptidase Clp (S14 family) 0.0227 0.0639 0.1469
Echinococcus multilocularis smad 0.0206 0.0571 0.1305
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0346 0.1038 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0092 0.019 0.0391
Leishmania major hypothetical protein, conserved 0.0055 0.0065 0.2008
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0101 0.0218 0.1895
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0101 0.0218 0.0459
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0346 0.1038 1
Loa Loa (eye worm) RNA binding protein 0.1291 0.4197 0.4181
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0119 0.028 0.241
Schistosoma mansoni smad 0.0206 0.0571 0.1305
Echinococcus multilocularis GPCR, family 2 0.0321 0.0955 0.2225
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0053 0.0264
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0226 0.0638 0.1465
Schistosoma mansoni hypothetical protein 0.0226 0.0638 0.1465
Giardia lamblia DNA repair protein RAD52 0.176 0.5761 1
Echinococcus multilocularis mothers against decapentaplegic 6 0.0092 0.019 0.0391
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0466 0.1054
Echinococcus granulosus smad 0.0206 0.0571 0.1305
Brugia malayi Smad1 0.0206 0.0571 0.0571
Entamoeba histolytica hypothetical protein 0.0226 0.0638 0.1046
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0346 0.1038 0.2425
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0466 0.1054
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0346 0.1038 0.2425
Entamoeba histolytica hypothetical protein 0.0226 0.0638 0.1046
Echinococcus multilocularis tar DNA binding protein 0.1291 0.4197 1
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.176 0.5761 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0321 0.0955 0.093
Brugia malayi MH2 domain containing protein 0.0206 0.0571 0.0571
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0206 0.0571 0.1305
Loa Loa (eye worm) TAR-binding protein 0.1291 0.4197 0.4181
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0053 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0101 0.0218 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0053 0.0264
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0346 0.1038 1
Schistosoma mansoni hypothetical protein 0.0321 0.0955 0.2225
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0065 0.2008
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0101 0.0218 0.0459
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0119 0.028 0.2503
Schistosoma mansoni Smad4 0.0092 0.019 0.0391
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0065 0.2008
Loa Loa (eye worm) MH2 domain-containing protein 0.0206 0.0571 0.0546
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0119 0.028 0.2503
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0101 0.0218 0.0459
Echinococcus granulosus peptidase Clp S14 family 0.0227 0.0639 0.1469
Brugia malayi MH2 domain containing protein 0.0206 0.0571 0.0571
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0346 0.1038 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0101 0.0218 0.0459
Echinococcus granulosus mothers against decapentaplegic 2 0.0092 0.019 0.0391
Echinococcus multilocularis Smad4 0.0206 0.0571 0.1305
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0206 0.0571 0.1305
Brugia malayi Probable ClpP-like protease 0.0346 0.1038 0.1038
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0065 0.038
Schistosoma mansoni smad1 5 8 and 0.0206 0.0571 0.1305
Toxoplasma gondii hypothetical protein 0.0119 0.028 0.2503
Loa Loa (eye worm) hypothetical protein 0.0321 0.0955 0.093
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0321 0.0955 0.0955
Brugia malayi Latrophilin receptor protein 2 0.0321 0.0955 0.0955
Loa Loa (eye worm) hypothetical protein 0.1015 0.3273 0.3255
Schistosoma mansoni tar DNA-binding protein 0.1291 0.4197 1
Loa Loa (eye worm) MH2 domain-containing protein 0.3028 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0321 0.0955 0.2225
Echinococcus granulosus GPCR family 2 0.0321 0.0955 0.2225
Brugia malayi MH1 domain containing protein 0.0206 0.0571 0.0571
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0065 0.038
Schistosoma mansoni hypothetical protein 0.0321 0.0955 0.2225
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0065 0.2008
Entamoeba histolytica hypothetical protein 0.0226 0.0638 0.1046
Loa Loa (eye worm) hypothetical protein 0.0055 0.0065 0.0039
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1291 0.4197 0.4181
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0466 0.0466
Brugia malayi mothers against decapentaplegic homolog 3 0.0092 0.019 0.019
Schistosoma mansoni tar DNA-binding protein 0.1291 0.4197 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0206 0.0571 0.1305
Loa Loa (eye worm) Smad1 0.0206 0.0571 0.0546
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0501 0.1554 0.2648
Schistosoma mansoni hypothetical protein 0.0694 0.22 0.5212
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0053 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0321 0.0955 0.2225
Schistosoma mansoni hypothetical protein 0.0321 0.0955 0.2225
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0101 0.0218 1
Brugia malayi latrophilin 2 splice variant baaae 0.0694 0.22 0.22
Schistosoma mansoni smad1 5 8 and 0.0206 0.0571 0.1305
Brugia malayi isocitrate dehydrogenase 0.0101 0.0218 0.0218
Loa Loa (eye worm) nuclear factor I 0.0114 0.0263 0.0237
Brugia malayi RNA binding protein 0.1291 0.4197 0.4197
Loa Loa (eye worm) hypothetical protein 0.0092 0.019 0.0163
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0053 0.0064
Schistosoma mansoni peptidase Clp (S14 family) 0.0346 0.1038 0.2425
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0227 0.0639 0.606
Brugia malayi hypothetical protein 0.0226 0.0638 0.0638
Echinococcus granulosus TGF beta signal transducer SmadC 0.0206 0.0571 0.1305
Echinococcus granulosus tar DNA binding protein 0.1291 0.4197 1

Activities

Activity type Activity value Assay description Source 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) = 5.6234 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) 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.

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