Detailed information for compound 691855

Basic information

Technical information
  • TDR Targets ID: 691855
  • Name: 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[e]pyri midin-4-yl)sulfanyl]-N-(4-propan-2-ylphenyl)a cetamide
  • MW: 343.443 | Formula: C18H21N3O2S
  • H donors: 2 H acceptors: 4 LogP: 3.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C(C)C)CSc1nc(O)nc2c1CCC2
  • InChi: 1S/C18H21N3O2S/c1-11(2)12-6-8-13(9-7-12)19-16(22)10-24-17-14-4-3-5-15(14)20-18(23)21-17/h6-9,11H,3-5,10H2,1-2H3,(H,19,22)(H,20,21,23)
  • InChiKey: BIUBREJRDDQJIB-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(4-isopropylphenyl)-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-yl)sulfanyl]acetamide
  • N-(4-isopropylphenyl)-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-yl)thio]acetamide
  • N-(4-isopropylphenyl)-2-[(2-keto-1,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-yl)thio]acetamide
  • 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-yl)sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide
  • ZINC04316725

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 falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0104 0.2763 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0095 0.2448 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0095 0.2448 0.5
Brugia malayi Pre-SET motif family protein 0.0212 0.6807 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 1 0.5
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0095 0.2448 0.5
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0095 0.2448 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0095 0.2448 0.3951
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0042 0.017
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 1 1
Onchocerca volvulus 0.0242 0.7898 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0095 0.2448 0.3556
Trichomonas vaginalis set domain proteins, putative 0.0242 0.7898 0.7095
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0032 0.0081 0.0142
Brugia malayi glucose-6-phosphate dehydrogenase 0.0095 0.2448 0.3556
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0095 0.2448 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.4327 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 1 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0104 0.2763 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0095 0.2448 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 1 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.4327 0.5
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0104 0.2763 1
Treponema pallidum fructose-bisphosphate aldolase 0.0298 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.6807 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0062 0.122 0.4331
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0095 0.2448 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 1 1
Onchocerca volvulus 0.0088 0.219 0.2734
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 1 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.4327 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0298 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 1 1

Activities

No activities found for this compound.

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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