Detailed information for compound 805398

Basic information

Technical information
  • TDR Targets ID: 805398
  • Name: N-[3-[(4-methoxyphenyl)amino]-1,4-dioxonaphth alen-2-yl]acetamide
  • MW: 336.341 | Formula: C19H16N2O4
  • H donors: 2 H acceptors: 3 LogP: 2.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC1=C(NC(=O)C)C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C19H16N2O4/c1-11(22)20-16-17(21-12-7-9-13(25-2)10-8-12)19(24)15-6-4-3-5-14(15)18(16)23/h3-10,21H,1-2H3,(H,20,22)
  • InChiKey: DTQUQPAEYFZXBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[(4-methoxyphenyl)amino]-1,4-dioxo-2-naphthyl]acetamide
  • N-[1,4-diketo-3-[(4-methoxyphenyl)amino]-2-naphthyl]acetamide
  • N-[3-[(4-methoxyphenyl)amino]-1,4-dioxo-naphthalen-2-yl]ethanamide
  • ZINC04628638
  • A3603/0152656

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi beta-lactamase 0.0035 0.0284 0.0163
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.3458 0.7285
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0092 0.1601 0.1496
Leishmania major hypothetical protein, conserved 0.0035 0.0284 0.0284
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0413 0.9017 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.7629 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0751 0.0636
Trichomonas vaginalis esterase, putative 0.0035 0.0284 0.0372
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0163
Trypanosoma cruzi fatty acid elongase, putative 0.0456 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0163
Trypanosoma cruzi fatty acid elongase, putative 0.0092 0.1601 0.1601
Trypanosoma brucei Long chain fatty acyl elongase 0.0092 0.1601 0.1496
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0751 0.0707
Schistosoma mansoni elongation of fatty acids protein 1 0.0092 0.1601 0.1662
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0284 0.0372
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0284 0.0163
Toxoplasma gondii GNS1/SUR4 family protein 0.0456 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1601 0.1496
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Echinococcus multilocularis muscleblind protein 1 0.018 0.3643 0.3957
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7629 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0751 0.0707
Loa Loa (eye worm) fatty acid elongation protein 3 0.0456 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0284 0.0181
Toxoplasma gondii fatty acid elongase 0.0092 0.1601 0.1496
Trypanosoma cruzi fatty acid elongase, putative 0.0456 1 1
Loa Loa (eye worm) hypothetical protein 0.0413 0.9017 0.9005
Trypanosoma cruzi fatty acid elongase, putative 0.0092 0.1601 0.1601
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0163
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0284 0.0284
Brugia malayi beta-lactamase family protein 0.0035 0.0284 0.0163
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0284 0.0181
Trypanosoma brucei Fatty acid elongase 0.0456 1 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0092 0.1601 0.1496
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.3458 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0751 0.0707
Loa Loa (eye worm) hypothetical protein 0.018 0.3643 0.3564
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0284 0.0372
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7629 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7629 1
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Schistosoma mansoni fatty acid acyl transferase-related 0.0092 0.1601 0.1662
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.6389 0.6344
Echinococcus multilocularis hormone sensitive lipase 0.0413 0.9017 1
Echinococcus granulosus elongation of very long chain fatty acids 0.0092 0.1601 0.1662
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Trypanosoma cruzi fatty acid elongase, putative 0.0456 1 1
Brugia malayi Muscleblind-like protein 0.018 0.3643 0.3564
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0284 0.0181
Leishmania major fatty acid elongase, putative 0.0456 1 1
Onchocerca volvulus 0.0092 0.1601 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0751 0.0707
Schistosoma mansoni elongation of fatty acids protein 1 0.0092 0.1601 0.1662
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7629 1
Brugia malayi fatty acid elongation protein 3 0.0092 0.1601 0.1496
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0092 0.1601 0.1601
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.0456 1 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0284 0.0163
Trypanosoma cruzi fatty acid elongase, putative 0.0092 0.1601 0.1601
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0163
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0284 0.0163
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0284 0.0181
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0163
Trypanosoma cruzi fatty acid elongase, putative 0.0092 0.1601 0.1601
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0284 0.0163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7629 1
Trypanosoma cruzi fatty acid elongase, putative 0.0092 0.1601 0.1601
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7629 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0413 0.9017 1
Brugia malayi fatty acid elongation protein 3 0.0092 0.1601 0.1496
Loa Loa (eye worm) fatty acid elongation protein 3 0.0092 0.1601 0.1496
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0163
Schistosoma mansoni elongation of fatty acids protein 1 0.0092 0.1601 0.1662
Loa Loa (eye worm) beta-lactamase 0.0035 0.0284 0.0163
Brugia malayi beta-lactamase family protein 0.0035 0.0284 0.0163
Echinococcus multilocularis muscleblind protein 0.018 0.3643 0.3957
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0092 0.1601 0.1496
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.3458 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0751 0.0636
Echinococcus granulosus hormone sensitive lipase 0.0413 0.9017 1
Plasmodium vivax GNS1/SUR4 domain containing protein 0.0456 1 1
Leishmania major fatty acid elongase, putative 0.0456 1 1
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.7629 0.5
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0092 0.1601 0.1496
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7629 1
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0092 0.1601 0.1496
Echinococcus multilocularis snurportin 1 0.0299 0.6389 0.7045
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0456 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.4642 1
Echinococcus granulosus elongation of very long chain fatty acids 0.0092 0.1601 0.1662
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0284 0.0372
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0092 0.1601 0.1496
Schistosoma mansoni elongation of fatty acids protein 1 0.0092 0.1601 0.1662
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7629 1
Onchocerca volvulus 0.0092 0.1601 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0751 0.0707
Brugia malayi RNA, U transporter 1 0.008 0.1317 0.1209
Schistosoma mansoni hypothetical protein 0.0299 0.6389 0.7045
Loa Loa (eye worm) fatty acid elongation protein 3 0.0092 0.1601 0.1496
Echinococcus granulosus snurportin 1 0.0299 0.6389 0.7045
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0092 0.1601 0.1496
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Trypanosoma cruzi fatty acid elongase, putative 0.0092 0.1601 0.1601
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.0456 1 1
Brugia malayi fatty acid elongation protein 3 0.0092 0.1601 0.1496
Echinococcus multilocularis elongation of very long chain fatty acids 0.0092 0.1601 0.1662
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0092 0.1601 1
Leishmania major fatty acid elongase, putative 0.0456 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0284 0.0372
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0092 0.1601 1
Echinococcus granulosus muscleblind protein 0.018 0.3643 0.3957
Brugia malayi GNS1/SUR4 family protein 0.0456 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0751 0.0707
Echinococcus multilocularis elongation of very long chain fatty acids 0.0092 0.1601 0.1662
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7629 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0413 0.9017 1
Trypanosoma brucei Fatty acid elongase 0.0092 0.1601 0.1496
Trypanosoma cruzi fatty acid elongase, putative 0.0456 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7629 1
Leishmania major fatty acid elongase, putative 0.0092 0.1601 0.1601
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0284 0.0163
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0284 0.0372
Trypanosoma brucei Fatty acid elongase 0.0092 0.1601 0.1496
Brugia malayi fatty acid elongation protein 3 0.0092 0.1601 0.1496
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0751 0.0707
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.0456 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0284 0.0284
Loa Loa (eye worm) ELO-9 protein 0.0092 0.1601 0.1496
Loa Loa (eye worm) hypothetical protein 0.018 0.3643 0.3564
Brugia malayi GNS1/SUR4 family protein 0.0092 0.1601 0.1496
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0092 0.1601 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) 4.4668 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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 SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 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) 42.2841 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 79.4328 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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