Detailed information for compound 1304325

Basic information

Technical information
  • TDR Targets ID: 1304325
  • Name: N-(3-ethoxypropyl)-2-(6-oxo-3-phenylpyridazin -1-yl)acetamide
  • MW: 315.367 | Formula: C17H21N3O3
  • H donors: 1 H acceptors: 2 LogP: 1.36 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCNC(=O)Cn1nc(ccc1=O)c1ccccc1
  • InChi: 1S/C17H21N3O3/c1-2-23-12-6-11-18-16(21)13-20-17(22)10-9-15(19-20)14-7-4-3-5-8-14/h3-5,7-10H,2,6,11-13H2,1H3,(H,18,21)
  • InChiKey: NMEDHEUMCIUXKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-ethoxypropyl)-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide
  • N-(3-ethoxypropyl)-2-(6-oxo-3-phenyl-1-pyridazinyl)acetamide
  • N-(3-ethoxypropyl)-2-(6-keto-3-phenyl-pyridazin-1-yl)acetamide
  • N-(3-ethoxypropyl)-2-(6-oxo-3-phenyl-pyridazin-1-yl)ethanamide
  • MLS000120145
  • SMR000097062

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

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 Basic leucine zipper (bZIP) transcription 0.0043 0.0235 0.0962
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0028 0.0138 0.0557
Schistosoma mansoni hypothetical protein 0.0026 0.0125 0.0964
Schistosoma mansoni ferritin light chain 0.001 0.0024 0.0161
Leishmania major hypothetical protein, conserved 0.0029 0.0145 0.0136
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0012 0.0036 0.0133
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0235 0.1842
Echinococcus multilocularis geminin 0.0205 0.1256 0.5221
Schistosoma mansoni ferritin 0.001 0.0024 0.0161
Schistosoma mansoni ap endonuclease 0.0022 0.0098 0.0747
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0015 0.0046
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0012 0.0036 0.0133
Entamoeba histolytica hypothetical protein 0.0043 0.0235 0.0396
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0098 0.7091
Toxoplasma gondii t-complex protein beta subunit 0.0028 0.0138 0.1975
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0145 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0015 0.0046
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0098 0.2824
Schistosoma mansoni cpg binding protein 0.003 0.0149 0.1162
Trypanosoma brucei isopentenyl-diphosphate delta-isomerase (type II) 0.0568 0.3558 1
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0145 0.0136
Brugia malayi hypothetical protein 0.0029 0.0145 0.4418
Echinococcus granulosus ferritin 0.001 0.0024 0.0084
Echinococcus granulosus GPCR family 2 0.0012 0.0036 0.0133
Schistosoma mansoni ferritin 0.001 0.0024 0.0161
Onchocerca volvulus 0.0028 0.0139 0.5
Schistosoma mansoni hypothetical protein 0.0012 0.0036 0.0254
Schistosoma mansoni hypothetical protein 0.0205 0.1256 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0309 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0098 0.0074
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0145 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0138 0.1067
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0145 1
Trichomonas vaginalis chaperonin, putative 0.0028 0.0138 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0138 0.1067
Schistosoma mansoni hypothetical protein 0.0043 0.0235 0.1842
Echinococcus multilocularis GPCR, family 2 0.0012 0.0036 0.0133
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0042 0.016
Entamoeba histolytica hypothetical protein 0.0043 0.0235 0.0396
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0028 0.0138 0.8503
Echinococcus granulosus neuropeptide s receptor 0.0385 0.2402 1
Trichomonas vaginalis ferritin, putative 0.001 0.0024 0.1754
Brugia malayi T-complex protein 1, beta subunit 0.0028 0.0138 0.4179
Brugia malayi CXXC zinc finger family protein 0.0028 0.0139 0.4235
Loa Loa (eye worm) hypothetical protein 0.0029 0.0145 0.4405
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0341 0.2691
Echinococcus multilocularis neuropeptide receptor A26 0.0385 0.2402 1
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0145 0.2323
Mycobacterium ulcerans L-lactate dehydrogenase (cytochrome) LldD1 0.0568 0.3558 0.3542
Leishmania major T-complex protein 1, beta subunit, putative 0.0028 0.0138 0.0116
Loa Loa (eye worm) T-complex protein 1 0.0028 0.0138 0.4165
Entamoeba histolytica isopentenyl-diphosphate delta-isomerase, putative 0.0568 0.3558 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0309 1
Brugia malayi T-complex protein 1, beta subunit 0.0028 0.0138 0.4179
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0028 0.0138 0.0116
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0138 0.1067
Entamoeba histolytica hypothetical protein 0.0043 0.0235 0.0396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0309 0.1273
Echinococcus multilocularis expressed protein 0.001 0.0024 0.0084
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0098 0.2806
Brugia malayi latrophilin 2 splice variant baaae 0.0026 0.0125 0.3742
Brugia malayi Calcitonin receptor-like protein seb-1 0.0038 0.0201 0.6335
Schistosoma mansoni cpg binding protein 0.0028 0.0139 0.108
Loa Loa (eye worm) latrophilin receptor protein 2 0.0012 0.0036 0.0709
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0309 0.2439
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0145 1
Leishmania major isopentenyl-diphosphate delta-isomerase, putative,isomerase, putative 0.0568 0.3558 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0098 0.7091
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0038 0.0201 0.6326
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0098 0.039
Entamoeba histolytica hypothetical protein 0.0043 0.0235 0.0396
Treponema pallidum hypothetical protein 0.1584 1 1
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0028 0.0138 0.8503
Schistosoma mansoni ferritin 0.001 0.0024 0.0161
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0028 0.0138 0.0557
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0098 0.0074
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0012 0.0036 0.0732
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.03 1
Schistosoma mansoni hypothetical protein 0.0012 0.0036 0.0254
Plasmodium falciparum T-complex protein 1 subunit beta 0.0028 0.0138 0.8503
Loa Loa (eye worm) hypothetical protein 0.0012 0.0036 0.0709
Brugia malayi Latrophilin receptor protein 2 0.0012 0.0036 0.0732
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0309 0.1273
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0309 0.1273
Schistosoma mansoni ap endonuclease 0.0022 0.0098 0.0747
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0145 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0125 0.3726
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0012 0.0036 0.0133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0309 0.2439
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0028 0.0138 0.0116
Schistosoma mansoni hypothetical protein 0.0205 0.1256 1
Schistosoma mansoni ferritin light chain 0.001 0.0024 0.0161
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0235 0.0962
Brugia malayi hypothetical protein 0.0043 0.0235 0.7468
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0309 0.1273
Schistosoma mansoni hypothetical protein 0.0012 0.0036 0.0254
Echinococcus granulosus neuropeptide receptor A26 0.0385 0.2402 1
Echinococcus granulosus cpg binding protein 0.003 0.0149 0.0607
Giardia lamblia TCP-1 chaperonin subunit beta 0.0028 0.0138 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0098 1
Schistosoma mansoni apoferritin-2 0.001 0.0024 0.0161
Echinococcus granulosus geminin 0.0205 0.1256 0.5221
Echinococcus multilocularis neuropeptide s receptor 0.0385 0.2402 1
Brugia malayi hypothetical protein 0.0019 0.0079 0.2192
Echinococcus granulosus expressed protein 0.001 0.0024 0.0084
Loa Loa (eye worm) hypothetical protein 0.0038 0.0201 0.6326
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0098 0.0074
Schistosoma mansoni cpg binding protein 0.003 0.0149 0.1162
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0042 0.016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0309 0.2439
Schistosoma mansoni hypothetical protein 0.0012 0.0036 0.0254
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0139 0.4221
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0038 0.0201 0.6335
Schistosoma mansoni apoferritin-2 0.001 0.0024 0.0161
Echinococcus multilocularis cpg binding protein 0.003 0.0149 0.0607
Mycobacterium ulcerans L-lactate dehydrogenase (cytochrome) LldD2 0.1584 1 1
Schistosoma mansoni ferritin 0.001 0.0024 0.0161
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0012 0.0036 0.0133
Mycobacterium ulcerans isopentenyl pyrophosphate isomerase 0.0568 0.3558 0.3542
Schistosoma mansoni hypothetical protein 0.0013 0.0042 0.0307
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0098 0.039
Echinococcus multilocularis ferritin 0.001 0.0024 0.0084
Mycobacterium tuberculosis Possible L-lactate dehydrogenase (cytochrome) LldD2 0.1584 1 1
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0028 0.0138 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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 (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 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) 100 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

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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