Detailed information for compound 1342114

Basic information

Technical information
  • TDR Targets ID: 1342114
  • Name: ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoqu inazolin-3-yl]oxyacetate
  • MW: 342.349 | Formula: C17H18N4O4
  • H donors: 0 H acceptors: 3 LogP: 2.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)COn1c(nc2c(c1=O)cccc2)n1nc(cc1C)C
  • InChi: 1S/C17H18N4O4/c1-4-24-15(22)10-25-21-16(23)13-7-5-6-8-14(13)18-17(21)20-12(3)9-11(2)19-20/h5-9H,4,10H2,1-3H3
  • InChiKey: GWIHITFHFPTGTD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-quinazolin-3-yl]oxyacetate
  • 2-[[2-(3,5-dimethyl-1-pyrazolyl)-4-oxo-3-quinazolinyl]oxy]acetic acid ethyl ester
  • 2-[2-(3,5-dimethylpyrazol-1-yl)-4-keto-quinazolin-3-yl]oxyacetic acid ethyl ester
  • ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-quinazolin-3-yl]oxyethanoate
  • ZINC05576941

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0087 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0602 0.0935
Schistosoma mansoni hypothetical protein 0.0174 0.446 0.4458
Brugia malayi Bromodomain containing protein 0.0075 0.1668 0.2592
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0826 0.0822
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0602 0.0598
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0019 0.0015
Loa Loa (eye worm) RNA binding protein 0.0128 0.3164 0.3164
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0119 0.0115
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0119 0.0115
Echinococcus granulosus tar DNA binding protein 0.0128 0.3164 0.3161
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0119 0.0115
Brugia malayi hypothetical protein 0.0036 0.055 0.0855
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.132 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0119 0.0119
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0119 0.0115
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.1232 0.1229
Loa Loa (eye worm) hypothetical protein 0.0123 0.3019 0.3019
Echinococcus multilocularis tar DNA binding protein 0.0128 0.3164 0.3161
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0119 0.0115
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0303 0.0303
Schistosoma mansoni hypothetical protein 0.0038 0.0602 0.0598
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0087 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3164 0.3161
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0119 0.0115
Schistosoma mansoni ap endonuclease 0.002 0.0087 0.0083
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3164 0.3161
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0119 0.0185
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.132 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0119 0.0185
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0602 0.0602
Echinococcus multilocularis zinc finger protein 0.002 0.0091 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0119 0.0185
Brugia malayi MH1 domain containing protein 0.0017 0.0004 0.0007
Schistosoma mansoni hypothetical protein 0.0036 0.055 0.0546
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.132 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0119 0.0185
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0119 0.0115
Loa Loa (eye worm) hypothetical protein 0.037 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0826 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3164 0.3161
Loa Loa (eye worm) transcription factor SMAD2 0.0244 0.6434 0.6434
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0826 0.0826
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0019 0.0015
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0826 0.0822
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0826 0.0822
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0087 0.0661
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0119 0.0115
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0119 0.0115
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0556 0.0552
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0175 0.0171
Loa Loa (eye worm) hypothetical protein 0.0081 0.1841 0.1841
Schistosoma mansoni bromodomain containing protein 0.0064 0.1334 0.1331
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0119 0.0185
Brugia malayi nuclear receptor NHR-88 0.0021 0.0119 0.0185
Brugia malayi Bromodomain containing protein 0.0038 0.0624 0.0969
Loa Loa (eye worm) hypothetical protein 0.0041 0.0693 0.0693
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.055 0.0546
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0087 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0119 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0119 0.0185
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0119 0.0185
Schistosoma mansoni hypothetical protein 0.0038 0.0602 0.0598
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0119 0.0115
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0087 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0119 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0119 0.0185
Brugia malayi Smad1 0.0017 0.0004 0.0007
Schistosoma mansoni zinc finger protein 0.002 0.0091 0.0087
Brugia malayi MH2 domain containing protein 0.0017 0.0004 0.0007
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.132 1
Brugia malayi PHD-finger family protein 0.0025 0.0243 0.0377
Loa Loa (eye worm) MH2 domain-containing protein 0.0244 0.6434 0.6434
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0119 0.0115
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0119 0.0185
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0119 0.0115
Brugia malayi hypothetical protein 0.0123 0.3019 0.4692
Schistosoma mansoni hypothetical protein 0.0174 0.446 0.4458
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.132 0.1316
Schistosoma mansoni biogenic amine (5HT) receptor 0.037 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.055 0.0546
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0175 0.0171
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.132 1
Schistosoma mansoni hypothetical protein 0.0038 0.0602 0.0598
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0119 0.0119
Echinococcus multilocularis GPCR, family 2 0.0038 0.0602 0.0598
Entamoeba histolytica hypothetical protein 0.0036 0.055 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.132 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0602 0.0598
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0087 0.5
Echinococcus granulosus GPCR family 2 0.0038 0.0602 0.0598
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0119 0.0115
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0087 1
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0602 0.0935
Schistosoma mansoni hypothetical protein 0.0021 0.0121 0.0117
Echinococcus multilocularis serotonin receptor 0.037 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0087 0.0661
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0119 0.0119
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0175 0.0171
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0826 0.1283
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0119 0.0115
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0087 0.0083
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3164 0.3161
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0087 0.0087
Echinococcus granulosus zinc finger protein 0.002 0.0091 0.0087
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0037 0.0037
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.132 0.1316
Loa Loa (eye worm) hypothetical protein 0.0123 0.3019 0.3019
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0119 0.0115
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0119 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0119 0.0185
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0826 0.0822
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0119 0.0115
Loa Loa (eye worm) hypothetical protein 0.0043 0.0747 0.0747
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.055 0.0546
Entamoeba histolytica hypothetical protein 0.0036 0.055 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0556 0.0552
Loa Loa (eye worm) hypothetical protein 0.037 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.3164 0.3164
Schistosoma mansoni hypothetical protein 0.0081 0.1841 0.1838
Echinococcus granulosus geminin 0.0174 0.446 0.4458
Loa Loa (eye worm) hypothetical protein 0.0119 0.2909 0.2909
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.132 0.1316
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0119 0.0185
Loa Loa (eye worm) hypothetical protein 0.0017 0.0019 0.0019
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0119 0.0115
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0019 0.0015
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0119 0.2909 0.4521
Brugia malayi steroid hormone receptor 0.0021 0.0119 0.0185
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0119 0.0115
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0019 0.0015
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0019 0.0015
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0087 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0119 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0119 0.0185
Brugia malayi Cytochrome P450 family protein 0.0027 0.0303 0.0472
Entamoeba histolytica hypothetical protein 0.0036 0.055 1
Brugia malayi MH2 domain containing protein 0.0244 0.6434 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0602 0.0602
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0004 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0119 0.0185
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.1232 0.1229
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0826 0.0822
Brugia malayi MH2 domain containing protein 0.0017 0.0004 0.0007
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0119 0.0115
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3164 0.3161
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0019 0.0015
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0119 0.0115
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0119 0.0115
Schistosoma mansoni hypothetical protein 0.0038 0.0602 0.0598
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0004 0.0004
Onchocerca volvulus Huntingtin homolog 0.0123 0.3019 1
Echinococcus multilocularis geminin 0.0174 0.446 0.4458
Loa Loa (eye worm) TAR-binding protein 0.0128 0.3164 0.3164
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0119 0.0115
Brugia malayi RNA binding protein 0.0128 0.3164 0.4918
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0019 0.0015
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.3164 0.4918
Brugia malayi latrophilin 2 splice variant baaae 0.0081 0.1841 0.2861
Echinococcus multilocularis serotonin receptor 0.037 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0119 0.0119
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0119 0.0115
Brugia malayi MH1 domain containing protein 0.0017 0.0004 0.0007
Brugia malayi nuclear hormone receptor 0.0021 0.0119 0.0185
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0119 0.0115
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.132 0.1316
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0087 0.0136
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0119 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0119 0.0119
Loa Loa (eye worm) Smad1 0.0017 0.0004 0.0004
Brugia malayi TAR-binding protein 0.0128 0.3164 0.4918
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0119 0.0119
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0121 0.0121
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0119 0.2909 0.2909
Brugia malayi ecdysteroid receptor 0.0021 0.0119 0.0185
Schistosoma mansoni coup transcription factor 0.0021 0.0119 0.0115
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0087 0.0083
Loa Loa (eye worm) hypothetical protein 0.0071 0.1546 0.1546
Loa Loa (eye worm) hypothetical protein 0.0039 0.0626 0.0626
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0826 0.0822
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0602 0.0598
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0119 0.0185
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0119 0.0115
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0119 0.0115
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0019 0.0015
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0087 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0119 0.0119
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0119 0.0185
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Brugia malayi Calcitonin receptor-like protein seb-1 0.0119 0.2909 0.4521
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0087 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0119 0.0115
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0119
Schistosoma mansoni ap endonuclease 0.002 0.0087 0.0083
Onchocerca volvulus Huntingtin homolog 0.0123 0.3019 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0087 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0602 0.0598
Entamoeba histolytica hypothetical protein 0.0036 0.055 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.6964 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. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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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