Detailed information for compound 1651908

Basic information

Technical information
  • TDR Targets ID: 1651908
  • Name: 2-ethoxy-6-phenyl-5,6-dihydro-1,3-thiazin-4-o ne
  • MW: 235.302 | Formula: C12H13NO2S
  • H donors: 0 H acceptors: 1 LogP: 2.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC1=NC(=O)CC(S1)c1ccccc1
  • InChi: 1S/C12H13NO2S/c1-2-15-12-13-11(14)8-10(16-12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
  • InChiKey: NJZDXTWIUZBSOT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS-138611
  • AIDS138611
  • NSC645760
  • NCI60_015681
  • 2-Ethoxy-6-phenyl-5,6-dihydro-4H-1,3-thiazin-4-one

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
Plasmodium vivax importin-beta 2, putative 0.0033 0.0304 0.8822
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0039 0.0039
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0347 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0134 0.3434 0.3434
Echinococcus multilocularis acetylcholinesterase 0.0134 0.3434 0.3434
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0039 0.5
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0039 0.0039
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0304 0.8822
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0347 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0134 0.3434 0.3434
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0304 0.0304
Loa Loa (eye worm) carboxylesterase 0.0134 0.3434 0.3434
Echinococcus granulosus importin subunit beta 1 0.0033 0.0304 0.0304
Leishmania major importin beta-1 subunit, putative 0.0026 0.0114 1
Plasmodium falciparum importin beta, putative 0.0033 0.0304 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0339 0.0339
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0339 0.0339
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0114 0.0152
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0 0.5
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0039 0.0039
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0339 0.0339
Echinococcus multilocularis acetylcholinesterase 0.0134 0.3434 0.3434
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0339 0.0339
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0339 0.0339
Schistosoma mansoni importin beta-1 0.0033 0.0304 0.0304
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0304 1
Onchocerca volvulus 0.0267 0.7534 1
Brugia malayi Carboxylesterase family protein 0.0134 0.3434 0.5254
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0339 1
Brugia malayi Importin beta-1 subunit 0.0033 0.0304 0.0465
Echinococcus granulosus carboxylesterase 5A 0.0134 0.3434 0.3434
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0 0.5
Brugia malayi Pre-SET motif family protein 0.0034 0.0339 0.0519
Brugia malayi Carboxylesterase family protein 0.0134 0.3434 0.5254
Entamoeba histolytica hypothetical protein 0.0026 0.0114 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.3434 0.3434
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0339 0.0339
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0114 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0134 0.3434 0.3434
Loa Loa (eye worm) hypothetical protein 0.0033 0.0304 0.0304
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0039 0.006
Trichomonas vaginalis ran, putative 0.0024 0.0039 0.0052
Brugia malayi Pre-SET motif family protein 0.0235 0.6535 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0114 0.0152
Loa Loa (eye worm) hypothetical protein 0.0134 0.3434 0.3434
Trichomonas vaginalis set domain proteins, putative 0.0267 0.7534 1
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0114 0.0152
Echinococcus granulosus acetylcholinesterase 0.0134 0.3434 0.3434
Schistosoma mansoni ran 0.0024 0.0039 0.0039
Echinococcus multilocularis snurportin 1 0.0347 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0304 1
Plasmodium vivax SET domain protein, putative 0.0034 0.0339 1
Echinococcus granulosus acetylcholinesterase 0.0134 0.3434 0.3434
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0339 0.0339
Brugia malayi RNA, U transporter 1 0.0093 0.2152 0.3292
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.6535 0.6535
Loa Loa (eye worm) hypothetical protein 0.0034 0.0339 0.0339
Schistosoma mansoni ran 0.0024 0.0039 0.0039
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0301 0.0301
Onchocerca volvulus 0.0034 0.0339 0.045

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (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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