Detailed information for compound 1370684

Basic information

Technical information
  • TDR Targets ID: 1370684
  • Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-( 4-oxoquinazolin-3-yl)acetamide
  • MW: 347.415 | Formula: C14H13N5O2S2
  • H donors: 1 H acceptors: 4 LogP: 1.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1nnc(s1)NC(=O)Cn1cnc2c(c1=O)cccc2
  • InChi: 1S/C14H13N5O2S2/c1-2-22-14-18-17-13(23-14)16-11(20)7-19-8-15-10-6-4-3-5-9(10)12(19)21/h3-6,8H,2,7H2,1H3,(H,16,17,20)
  • InChiKey: NKKZVFIZBSWQEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-3-quinazolinyl)acetamide
  • N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(4-ketoquinazolin-3-yl)acetamide
  • N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)ethanamide
  • ZINC03592226
  • MLS000772133
  • SMR000376722

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota 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
Schistosoma mansoni hypothetical protein 0.0039 0.0024 0.0024
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2448 0.3882 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0102 0.0127 0.0326
Leishmania major dihydroorotate dehydrogenase 0.6268 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.2448 0.3882 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0052 0.0778
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.0132 0.034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0063 0.0063
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0013 0.0033
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0035 0.0532
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0035 0.0091
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.6268 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.6268 1 1
Schistosoma mansoni hypothetical protein 0.0044 0.0033 0.0033
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0035 0.0091
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0102 0.0127 0.0326
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.6268 1 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0151 0.0204 0.0527
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2448 0.3882 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0132 0.1987
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.6268 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0024 0.0063
Brugia malayi Zinc finger, C2H2 type family protein 0.2448 0.3882 0.3882
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2448 0.3882 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0063 0.0163
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.006 0.0153
Entamoeba histolytica hypothetical protein 0.0039 0.0024 0.0063
Entamoeba histolytica hypothetical protein 0.0039 0.0024 0.0063
Echinococcus multilocularis protein dispatched 1 0.0052 0.0046 0.0117
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0066 0.0996
Onchocerca volvulus 0.0498 0.076 1
Schistosoma mansoni patched 1 0.0045 0.0035 0.0035
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0023 0.006
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0063 0.0063
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0013 0.0013
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2448 0.3882 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0013 0.0192
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.2448 0.3882 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0023 0.0023
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0024 0.0024
Echinococcus granulosus Niemann Pick C1 protein 0.0151 0.0204 0.0527
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2448 0.3882 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0063 0.0953
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2448 0.3882 1
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0032 0.0083
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.6268 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2448 0.3882 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.6268 1 1
Trichomonas vaginalis set domain proteins, putative 0.0498 0.076 0.1959
Brugia malayi Pre-SET motif family protein 0.0063 0.0063 0.0063
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.6268 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.6268 1 1
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0032 0.0083
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0063 0.0163
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0023 0.0351
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.6268 1 1
Brugia malayi hypothetical protein 0.0039 0.0024 0.0024
Plasmodium vivax SET domain protein, putative 0.0063 0.0063 0.005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0063 0.0063
Brugia malayi jmjC domain containing protein 0.0102 0.0127 0.0127
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0063 0.005
Entamoeba histolytica hypothetical protein 0.0039 0.0024 0.0063
Brugia malayi PHD-finger family protein 0.0031 0.0013 0.0013
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.0132 0.034
Plasmodium falciparum dihydroorotate dehydrogenase 0.6268 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0024 0.0063
Echinococcus granulosus peregrin 0.0031 0.0013 0.0033
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2448 0.3882 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0063 0.0063
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.0132 0.0132
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0063 0.0163
Giardia lamblia PHD finger protein 15 0.0031 0.0013 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.0132 0.034
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0438 0.0663 1
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0013 0.0192
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2448 0.3882 1
Schistosoma mansoni hypothetical protein 0.0044 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0045 0.0035 0.0532
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0023 0.006
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.6268 1 0.5
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0013 0.0033
Brugia malayi Pre-SET motif family protein 0.0438 0.0663 0.0663
Onchocerca volvulus 0.0063 0.0063 0.0675
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0035 0.0091
Schistosoma mansoni hypothetical protein 0.0044 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0054 0.0049 0.0732
Entamoeba histolytica hypothetical protein 0.0039 0.0024 0.0063
Schistosoma mansoni hypothetical protein 0.0044 0.0033 0.0033
Echinococcus multilocularis peregrin 0.0031 0.0013 0.0033
Brugia malayi jmjC domain containing protein 0.0038 0.0023 0.0023
Echinococcus granulosus expressed conserved protein 0.0099 0.0122 0.0313
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0035 0.0091
Brugia malayi CHE-14 protein 0.0045 0.0035 0.0035
Schistosoma mansoni hypothetical protein 0.0031 0.0013 0.0013
Brugia malayi Bromodomain containing protein 0.0031 0.0013 0.0013
Echinococcus multilocularis protein patched 0.0045 0.0035 0.0091
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2448 0.3882 0.3882
Echinococcus multilocularis expressed conserved protein 0.0099 0.0122 0.0313
Schistosoma mansoni dihydroorotate dehydrogenase 0.6268 1 1
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0093 0.0093
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.6268 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0023 0.0023
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.0134 0.0134

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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 (binding) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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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