Detailed information for compound 1353270

Basic information

Technical information
  • TDR Targets ID: 1353270
  • Name: ethyl N-(4-oxo-2-pyridin-2-yl-1,2-dihydroquin azolin-3-yl)carbamate
  • MW: 312.323 | Formula: C16H16N4O3
  • H donors: 2 H acceptors: 3 LogP: 2.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)NN1C(Nc2c(C1=O)cccc2)c1ccccn1
  • InChi: 1S/C16H16N4O3/c1-2-23-16(22)19-20-14(13-9-5-6-10-17-13)18-12-8-4-3-7-11(12)15(20)21/h3-10,14,18H,2H2,1H3,(H,19,22)
  • InChiKey: DMHWROJHDQJCCZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl N-[4-oxo-2-(2-pyridyl)-1,2-dihydroquinazolin-3-yl]carbamate
  • N-[4-oxo-2-(2-pyridyl)-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester
  • N-[4-keto-2-(2-pyridyl)-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester
  • MLS000727681
  • SMR000306378
  • ethyl 4-oxo-2-pyridin-2-yl-1,4-dihydroquinazolin-3(2H)-ylcarbamate
  • A3426/0145349

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus tar DNA binding protein 0.0144 0.4866 0.4866
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1673 0.1673
Schistosoma mansoni survival motor neuron protein 0.0058 0.1781 0.2518
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1673 0.1673
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4866 0.6879
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0518 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0518 0.5
Echinococcus multilocularis tar DNA binding protein 0.0144 0.4866 0.4866
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0518 1
Schistosoma mansoni hypothetical protein 0.0058 0.1781 0.2518
Brugia malayi MH2 domain containing protein 0.0132 0.4438 0.4438
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.4438 0.4438
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0518 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0518 0.5
Echinococcus granulosus geminin 0.0205 0.7074 0.7074
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1673 0.1673
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0518 0.0732
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Onchocerca volvulus 0.0058 0.1781 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.7074 1
Brugia malayi RNA binding protein 0.0144 0.4866 0.4866
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0518 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0518 0.5
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0518 0.0518
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Brugia malayi RNA recognition motif domain containing protein 0.0144 0.4866 0.4866
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4866 0.6879
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0518 0.5
Echinococcus multilocularis dna polymerase eta 0.0023 0.0518 0.0518
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0518 0.0518
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0518 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1781 0.1781
Brugia malayi TAR-binding protein 0.0144 0.4866 0.4866
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0518 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1673 0.1673
Leishmania major DNA polymerase eta, putative 0.0023 0.0518 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0518 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0518 0.0518
Echinococcus multilocularis geminin 0.0205 0.7074 0.7074
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1673 0.1673
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4866 0.6879
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1673 0.1673
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0518 0.5
Trypanosoma brucei unspecified product 0.0023 0.0518 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0518 0.0518
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1673 0.2365
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0518 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.4438 0.4438
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0518 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.0518 0.5
Schistosoma mansoni DNA polymerase eta 0.0023 0.0518 0.0732
Loa Loa (eye worm) TAR-binding protein 0.0144 0.4866 0.4866
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0518 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Schistosoma mansoni hypothetical protein 0.0205 0.7074 1
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4866 0.6879
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0518 0.0518
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0518 0.5
Echinococcus granulosus dna polymerase kappa 0.0023 0.0518 0.0518
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0518 0.0732
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0518 0.0518
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4866 0.6879
Loa Loa (eye worm) RNA binding protein 0.0144 0.4866 0.4866
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0518 0.0518
Leishmania major DNA polymerase kappa, putative 0.0023 0.0518 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0518 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0518 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1673 0.2365
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1673 0.2365
Echinococcus granulosus dna polymerase eta 0.0023 0.0518 0.0518
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0144 0.4866 0.4866

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 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) 10.4179 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 89.1251 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

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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