Detailed information for compound 1333988

Basic information

Technical information
  • TDR Targets ID: 1333988
  • Name: N-(3-diethylaminopropyl)-4-(2,3-dioxo-4H-quin oxalin-1-yl)benzamide
  • MW: 394.467 | Formula: C22H26N4O3
  • H donors: 2 H acceptors: 3 LogP: 2.92 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCNC(=O)c1ccc(cc1)n1c(=O)c(O)nc2c1cccc2)CC
  • InChi: 1S/C22H26N4O3/c1-3-25(4-2)15-7-14-23-20(27)16-10-12-17(13-11-16)26-19-9-6-5-8-18(19)24-21(28)22(26)29/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,27)(H,24,28)
  • InChiKey: KGGXIVRZZPDDPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-diethylaminopropyl)-4-(2,3-diketo-4H-quinoxalin-1-yl)benzamide

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 carbonic anhydrase 0.0869 0.4792 0.4786
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.008 0.0334 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0154 0.0976
Brugia malayi Bromodomain containing protein 0.0039 0.01 0.0076
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0271 0.0248
Schistosoma mansoni carbonic anhydrase-related 0.0869 0.4792 0.4792
Loa Loa (eye worm) hypothetical protein 0.0041 0.0114 0.0114
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0037 0.0091 0.0061
Brugia malayi mbt repeat family protein 0.0048 0.0154 0.013
Schistosoma mansoni carbonic anhydrase-related 0.0869 0.4792 0.4792
Plasmodium vivax sulfate transporter, putative 0.0037 0.0091 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0011 0.0011
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0451 0.0451
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.008 0.0334 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0063 0.0052
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0189 0.0951 0.0942
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0037 0.0091 0.0061
Schistosoma mansoni alkaline phosphatase 0.0322 0.1704 0.1704
Onchocerca volvulus 0.0232 0.1193 1
Mycobacterium leprae Probable transmembrane transport protein 0.0268 0.1396 0.1219
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1791 1 1
Schistosoma mansoni hypothetical protein 0.0032 0.0063 0.0063
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0063 0.0052
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0063 0.0052
Echinococcus multilocularis lamin dm0 0.0028 0.0041 0.0031
Brugia malayi hypothetical protein 0.0026 0.003 0.0006
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1791 1 1
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0322 0.1704 0.1695
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1028 0.5693 0.928
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0869 0.4792 0.4779
Schistosoma mansoni lamin 0.0028 0.0041 0.0041
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1105 0.6124 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0869 0.4792 0.4779
Schistosoma mansoni hypothetical protein 0.0168 0.0829 0.0829
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0189 0.0951 0.0942
Echinococcus multilocularis geminin 0.0347 0.1844 0.1835
Schistosoma mansoni carbonic anhydrase 0.1644 0.9171 0.9171
Echinococcus multilocularis lamin 0.0028 0.0041 0.0031
Loa Loa (eye worm) hypothetical protein 0.0101 0.0451 0.0451
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0884 0.4874 0.7912
Echinococcus granulosus geminin 0.0347 0.1844 0.1835
Schistosoma mansoni carbonic anhydrase 0.0869 0.4792 0.4792
Trypanosoma brucei carbonic anhydrase-like protein 0.1791 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0063 0.0063
Entamoeba histolytica carbonic anhydrase, putative 0.1644 0.9171 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.003 0.003
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0191 0.0181
Loa Loa (eye worm) hypothetical protein 0.1541 0.8586 0.8586
Mycobacterium ulcerans transferase 0.0077 0.0317 0.0237
Schistosoma mansoni hypothetical protein 0.0347 0.1844 0.1844
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0063 0.0052
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0037 0.0091 0.0061
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0087 0.0076
Echinococcus granulosus carbonic anhydrase 0.0869 0.4792 0.4786
Echinococcus granulosus alkaline phosphatase 0.0322 0.1704 0.1695
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0191 0.0191
Leishmania major carbonic anhydrase-like protein 0.1791 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0154 0.0154
Chlamydia trachomatis sulfate transporter 0.0037 0.0091 0.5
Echinococcus granulosus GPCR family 2 0.0032 0.0063 0.0052
Mycobacterium ulcerans carbonic anhydrase 0.1644 0.9171 0.9547
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0268 0.1396 0.2097
Loa Loa (eye worm) carbonic anhydrase 3 0.1791 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1791 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1791 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0101 0.0101
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0041 0.0017
Loa Loa (eye worm) hypothetical protein 0.0869 0.4792 0.4792
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0222 0.0211
Echinococcus multilocularis alkaline phosphatase 0.0322 0.1704 0.1695
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0869 0.4792 0.4779
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1791 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0869 0.4792 0.4792
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0191 0.0168
Loa Loa (eye worm) hypothetical protein 0.0869 0.4792 0.4792
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0222 0.0211
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1791 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0834 0.4593 0.4587
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0869 0.4792 0.4779
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0154 0.0154
Onchocerca volvulus Putative sulfate transporter 0.0232 0.1193 1
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.008 0.0334 0.0322
Schistosoma mansoni alkaline phosphatase 0.0322 0.1704 0.1704
Loa Loa (eye worm) hypothetical protein 0.0028 0.0041 0.0041
Trypanosoma brucei hypothetical protein, conserved 0.0046 0.0141 0.0111
Echinococcus granulosus lamin dm0 0.0028 0.0041 0.0031
Loa Loa (eye worm) MBCTL1 0.0055 0.0191 0.0191
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0191 0.0181
Trichomonas vaginalis conserved hypothetical protein 0.172 0.9602 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0285 0.0285
Schistosoma mansoni hypothetical protein 0.0292 0.1531 0.1531
Echinococcus granulosus carbonic anhydrase 0.0869 0.4792 0.4786
Trypanosoma cruzi hypothetical protein, conserved 0.0046 0.0141 0.0111
Onchocerca volvulus 0.0048 0.0154 0.0976
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0087 0.0076
Trichomonas vaginalis conserved hypothetical protein 0.172 0.9602 1
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0154 0.0143
Echinococcus granulosus carbonic anhydrase 0.0869 0.4792 0.4786
Mycobacterium ulcerans carbonic anhydrase 0.172 0.9602 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0063 0.0038
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0869 0.4792 0.4779
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0191 0.0181
Loa Loa (eye worm) hypothetical protein 0.0069 0.0271 0.0271
Trypanosoma cruzi hypothetical protein, conserved 0.0046 0.0141 0.0111
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0037 0.0091 0.0128
Echinococcus granulosus intermediate filament protein 0.0028 0.0041 0.0031
Plasmodium falciparum carbonic anhydrase 0.0869 0.4792 1
Mycobacterium ulcerans hypothetical protein 0.0046 0.0141 0.0053
Echinococcus multilocularis musashi 0.0028 0.0041 0.0031
Echinococcus granulosus lamin 0.0028 0.0041 0.0031
Onchocerca volvulus 0.0077 0.0317 0.239
Toxoplasma gondii hypothetical protein 0.0869 0.4792 1
Echinococcus granulosus intestinal type alkaline phosphatase 0.0322 0.1704 0.1695
Schistosoma mansoni bromodomain containing protein 0.0064 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0043 0.0125 0.0125
Brugia malayi intermediate filament protein 0.0028 0.0041 0.0017
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0037 0.0091 0.0128
Echinococcus granulosus carbonic anhydrase II 0.1791 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0063 0.0052
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0154 0.0154
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0191 0.0181
Schistosoma mansoni lamin 0.0028 0.0041 0.0041
Brugia malayi Bromodomain containing protein 0.0075 0.0309 0.0285
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0154 0.0143
Echinococcus multilocularis carbonic anhydrase 0.0869 0.4792 0.4786
Entamoeba histolytica acetyltransferase, putative 0.008 0.0334 0.0213
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0041 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0063 0.0063
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0154 0.0154
Schistosoma mansoni carbonic anhydrase-related 0.0869 0.4792 0.4792
Schistosoma mansoni intermediate filament proteins 0.0028 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0069 0.0271 0.0271
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0322 0.1704 0.1695
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0451 0.0428
Schistosoma mansoni hypothetical protein 0.0347 0.1844 0.1844
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0154 0.0143
Echinococcus multilocularis carbonic anhydrase II 0.1791 1 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1644 0.9171 1
Brugia malayi mbt repeat family protein 0.0048 0.0154 0.013
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0322 0.1704 0.1695
Loa Loa (eye worm) hypothetical protein 0.0028 0.0039 0.0039
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0322 0.1704 0.1695
Leishmania major hypothetical protein, conserved 0.0046 0.0141 0.0111
Schistosoma mansoni hypothetical protein 0.0032 0.0063 0.0063
Leishmania major carbonic anhydrase family protein, putative 0.1644 0.9171 0.9169
Schistosoma mansoni hypothetical protein 0.0869 0.4792 0.4792
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0154 0.0154
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0041 0.0041
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0322 0.1704 0.1695
Echinococcus granulosus dynactin 5 p25 0.008 0.0334 0.0323
Schistosoma mansoni hypothetical protein 0.0032 0.0063 0.0063
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0063 0.0038
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0451 0.0428
Entamoeba histolytica ankyrin, putative 0.008 0.0334 0.0213
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0154 0.0143
Schistosoma mansoni hypothetical protein 0.0032 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0055 0.0191 0.0191
Echinococcus multilocularis carbonic anhydrase 0.0869 0.4792 0.4786

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (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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