Detailed information for compound 1087522

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.351 | Formula: C20H15N3O3
  • H donors: 3 H acceptors: 2 LogP: 2.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c2c([nH]1)cccc2Oc1cccc(c1)NC(=O)c1ccccc1
  • InChi: 1S/C20H15N3O3/c24-19(13-6-2-1-3-7-13)21-14-8-4-9-15(12-14)26-17-11-5-10-16-18(17)23-20(25)22-16/h1-12H,(H,21,24)(H2,22,23,25)
  • InChiKey: HWHMWMCLCOSYFF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Leishmania major hypothetical protein, conserved 0.0038 0.0394 0.3927
Echinococcus multilocularis glutamate receptor 2 0.0059 0.0669 0.0669
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0569 0.7332 0.9048
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0059 0.0669 0.0669
Brugia malayi Metabotropic glutamate receptor precursor. 0.0628 0.8104 1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0394 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0476 0.0476
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0394 0.0427
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0774 1 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0059 0.0669 0.0669
Echinococcus multilocularis lamin dm0 0.0026 0.0239 0.0239
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0038 0.0394 0.0394
Loa Loa (eye worm) hypothetical protein 0.0102 0.1229 0.1229
Echinococcus multilocularis GPCR, family 2 0.0015 0.0097 0.0097
Onchocerca volvulus 0.0038 0.0394 0.1568
Schistosoma mansoni tyrosine kinase 0.0059 0.0669 0.0725
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0394 0.3927
Schistosoma mansoni hypothetical protein 0.0015 0.0097 0.0105
Echinococcus multilocularis lamin 0.0026 0.0239 0.0239
Onchocerca volvulus 0.0028 0.0261 0.0224
Loa Loa (eye worm) hypothetical protein 0.0059 0.0669 0.0669
Schistosoma mansoni cpg binding protein 0.0029 0.0281 0.0305
Mycobacterium ulcerans beta-lactamase 0.0038 0.0394 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0394 0.5
Brugia malayi hypothetical protein 0.0016 0.0103 0.0127
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0394 0.5
Brugia malayi CXXC zinc finger family protein 0.0028 0.0261 0.0322
Loa Loa (eye worm) hypothetical protein 0.0059 0.0669 0.0669
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0394 0.5
Echinococcus multilocularis cpg binding protein 0.0029 0.0281 0.0281
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0239 0.0294
Echinococcus multilocularis nmda type glutamate receptor 0.0059 0.0669 0.0669
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0476 0.0516
Loa Loa (eye worm) hypothetical protein 0.0059 0.0669 0.0669
Loa Loa (eye worm) hypothetical protein 0.0048 0.0528 0.0528
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0161 0.2001 0.2001
Loa Loa (eye worm) hypothetical protein 0.0026 0.0239 0.0239
Echinococcus multilocularis GPCR, family 3, C terminal 0.0102 0.1229 0.1229
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0102 0.1229 0.1517
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0394 0.0394
Schistosoma mansoni protein kinase 0.0059 0.0669 0.0725
Brugia malayi beta-lactamase family protein 0.0038 0.0394 0.0486
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0059 0.0669 0.0669
Loa Loa (eye worm) histone methyltransferase 0.0009 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0038 0.0394 0.0394
Echinococcus multilocularis receptor type guanylyl cyclase 0.0059 0.0669 0.0669
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0476 0.0516
Echinococcus granulosus GPCR family 3 C terminal 0.0102 0.1229 0.1229
Onchocerca volvulus 0.0038 0.0394 0.1568
Schistosoma mansoni metabotropic glutamate receptor 0.0306 0.3897 0.4223
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0011 0.004 0.0044
Loa Loa (eye worm) hypothetical protein 0.0059 0.0669 0.0669
Loa Loa (eye worm) hypothetical protein 0.0024 0.0216 0.0216
Leishmania major extracellular receptor, putative 0.0059 0.0669 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0059 0.0669 0.0669
Onchocerca volvulus 0.0038 0.0394 0.1568
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0008 0.001
Echinococcus granulosus receptor type guanylyl cyclase 0.0059 0.0669 0.0669
Loa Loa (eye worm) glutamate receptor 0.0247 0.3125 0.3125
Schistosoma mansoni hypothetical protein 0.0102 0.1229 0.1332
Schistosoma mansoni metabotropic glutamate receptor 0.0526 0.6772 0.7338
Loa Loa (eye worm) hypothetical protein 0.0038 0.0394 0.0394
Schistosoma mansoni hypothetical protein 0.0015 0.0097 0.0105
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0394 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0056
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0059 0.0669 0.0669
Schistosoma mansoni cpg binding protein 0.0029 0.0281 0.0305
Echinococcus multilocularis glutamate receptor 2 0.0059 0.0669 0.0669
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0394 0.0394
Loa Loa (eye worm) hypothetical protein 0.0013 0.0062 0.0062
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0097 0.0097
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0059 0.0669 0.0825
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0161 0.2001 0.2001
Onchocerca volvulus Poor gastrulation protein homolog 0.0102 0.1229 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0062 0.0062
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0261 0.0261
Loa Loa (eye worm) beta-lactamase 0.0038 0.0394 0.0394
Loa Loa (eye worm) hypothetical protein 0.0033 0.0329 0.0329
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.004 0.004
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0526 0.6772 0.6772
Schistosoma mansoni hypothetical protein 0.0033 0.0329 0.0356
Brugia malayi beta-lactamase family protein 0.0038 0.0394 0.0486
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0394 0.0427
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0669 0.0724
Mycobacterium ulcerans hypothetical protein 0.0038 0.0394 0.5
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0097 0.0119
Schistosoma mansoni hypothetical protein 0.0015 0.0097 0.0105
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0476 0.0476
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0059 0.0669 0.4342
Brugia malayi Guanylyl cyclase protein 23 0.0059 0.0669 0.0825
Toxoplasma gondii ABC1 family protein 0.0038 0.0394 0.4802
Echinococcus granulosus lamin 0.0026 0.0239 0.0239
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0097 0.0097
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0528 0.0652
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1409 0.1409
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0097 0.0097
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0394 1
Schistosoma mansoni cpg binding protein 0.0028 0.0261 0.0283
Echinococcus granulosus GPCR family 2 0.0015 0.0097 0.0097
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.008 0.0099
Echinococcus granulosus metabotropic glutamate receptor 2 0.0526 0.6772 0.6772
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0062 0.0062
Echinococcus granulosus glutamate receptor 2 0.0059 0.0669 0.0669
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0059 0.0669 0.0669
Loa Loa (eye worm) hypothetical protein 0.0038 0.0394 0.0394
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0586 1
Mycobacterium ulcerans lipase LipD 0.0038 0.0394 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0097 0.0119
Onchocerca volvulus 0.0059 0.0669 0.4342
Echinococcus multilocularis tyrosine kinase 0.0059 0.0669 0.0669
Echinococcus granulosus cpg binding protein 0.0029 0.0281 0.0281
Brugia malayi Receptor family ligand binding region containing protein 0.0161 0.2001 0.2469
Loa Loa (eye worm) hypothetical protein 0.0038 0.0394 0.0394
Brugia malayi Receptor family ligand binding region containing protein 0.0059 0.0669 0.0825
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0394 0.0486
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0394 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0059 0.0669 0.0669
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0528 0.0652
Brugia malayi beta-lactamase 0.0038 0.0394 0.0486
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0059 0.0669 0.0669
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0394 0.0394
Echinococcus granulosus atrial natriuretic peptide receptor 0.0059 0.0669 0.0669
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0059 0.0669 0.0669
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0476 0.0516
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0059 0.0669 0.0669
Onchocerca volvulus 0.0059 0.0669 0.4342
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0528 0.0528
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.001 0.001
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0394 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0059 0.0669 0.0725
Loa Loa (eye worm) hypothetical protein 0.0161 0.2001 0.2001
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0394 0.3927
Loa Loa (eye worm) glutamate receptor 0.0628 0.8104 0.8104
Brugia malayi hypothetical protein 0.0059 0.0669 0.0825
Echinococcus granulosus lamin dm0 0.0026 0.0239 0.0239
Schistosoma mansoni tyrosine kinase 0.0059 0.0669 0.0725
Brugia malayi hypothetical protein 0.0024 0.0216 0.0267
Loa Loa (eye worm) RGC/RGC protein kinase 0.0059 0.0669 0.0669
Schistosoma mansoni lamin 0.0026 0.0239 0.0258
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.3072 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0097 0.0097
Entamoeba histolytica hypothetical protein 0.0059 0.0669 0.5
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0394 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0669 0.0669
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0239 0.0239
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0476 0.0476
Loa Loa (eye worm) hypothetical protein 0.0059 0.0669 0.0669
Schistosoma mansoni lamin 0.0026 0.0239 0.0258
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0774 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0059 0.0669 0.0669
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0216 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0394 0.0394
Echinococcus multilocularis musashi 0.0026 0.0239 0.0239
Echinococcus granulosus intermediate filament protein 0.0026 0.0239 0.0239
Schistosoma mansoni intermediate filament proteins 0.0026 0.0239 0.0258
Echinococcus granulosus tyrosine kinase 0.0059 0.0669 0.0669
Trypanosoma cruzi extracellular receptor, putative 0.0059 0.0669 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0476 0.0588
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.001 0.001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0476 0.0476
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1409 0.1409
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0102 0.1229 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0669 0.0669
Brugia malayi intermediate filament protein 0.0026 0.0239 0.0294
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0329 0.0405
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0476 0.0476
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0216 0.5
Echinococcus granulosus glutamate receptor 2 0.0059 0.0669 0.0669
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0239 0.0239
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0394 0.5
Trichomonas vaginalis esterase, putative 0.0038 0.0394 0.5
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0059 0.0669 0.0669
Schistosoma mansoni hypothetical protein 0.0015 0.0097 0.0105
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0394 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.008 0.008
Brugia malayi metabotropic glutamate receptor type 2 0.0306 0.3897 0.4809
Brugia malayi MH2 domain containing protein 0.0116 0.1409 0.1739
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0059 0.0669 0.0669
Loa Loa (eye worm) hypothetical protein 0.0026 0.0232 0.0232
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0097 0.0097
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0714 0.9228 1

Activities

No activities found for this compound.

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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