Detailed information for compound 38144

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 262.258 | Formula: C9H11FN2O4S
  • H donors: 3 H acceptors: 4 LogP: -2.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(CS(=O)(=O)c1cccc(c1N)F)N
  • InChi: 1S/C9H11FN2O4S/c10-5-2-1-3-7(8(5)12)17(15,16)4-6(11)9(13)14/h1-3,6H,4,11-12H2,(H,13,14)
  • InChiKey: JTBYIMAWLVROIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0101 0.0903 0.06
Brugia malayi thymidylate kinase 0.0072 0.0334 0.0026
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0101 0.0903 0.137
Trichomonas vaginalis ribonuclease H1, putative 0.0072 0.0323 0.0707
Brugia malayi DNA polymerase alpha catalytic subunit 0.0131 0.1516 0.2816
Onchocerca volvulus DNA polymerase homolog 0.0101 0.0903 0.137
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0282 0.4559 1
Brugia malayi DNA polymerase family B containing protein 0.0101 0.0903 0.137
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0282 0.4559 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.2161 0.4739
Trichomonas vaginalis thymidylate kinase, putative 0.0072 0.0334 0.0732
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0282 0.4559 1
Brugia malayi DNA polymerase delta catalytic subunit 0.0282 0.4559 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.1867 0.3167
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0101 0.0903 0.1191
Trypanosoma brucei thymidylate kinase, putative 0.0072 0.0334 0.0012
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0282 0.4559 1
Onchocerca volvulus Putative thymidylate kinase 0.0072 0.0334 0.0026
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0101 0.0903 0.1981
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.011 0.1087 0.079
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0163 0.2161 0.4339
Echinococcus multilocularis thymidylate kinase 0.0072 0.0334 0.0026
Leishmania major mitochondrial DNA polymerase beta 0.0314 0.5199 1
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0101 0.0903 0.1348
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0072 0.0334 1
Toxoplasma gondii thymidylate kinase 0.0072 0.0334 0.0026
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0101 0.0903 0.137
Chlamydia trachomatis thymidylate kinase 0.0072 0.0334 0.5
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0142 0.1732 0.3326
Trypanosoma brucei ingi protein (ORF1) 0.0084 0.0575 0.026
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.011 0.1087 0.2384
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.011 0.1087 0.1567
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0314 0.5199 0.5039
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0101 0.0903 0.137
Leishmania major thymidylate kinase-like protein 0.0072 0.0334 0.0023
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0282 0.4559 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0142 0.1732 0.1456
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0282 0.4559 1
Toxoplasma gondii DNA polymerase 0.0282 0.4559 1
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.0101 0.0903 0.137
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0072 0.0334 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.5199 1
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0282 0.4559 1
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0101 0.0903 0.1191
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.5199 1
Trypanosoma brucei unspecified product 0.0084 0.0575 0.026
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0131 0.1516 0.2816
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0101 0.0903 0.1348
Trypanosoma brucei thymidylate kinase, putative 0.0072 0.0334 0.0012
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0282 0.4559 0.8689
Loa Loa (eye worm) thymidylate kinase 0.0072 0.0334 0.0732
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0148 0.1867 0.1596
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0282 0.4559 1
Plasmodium vivax DNA polymerase alpha, putative 0.0131 0.1516 0.2797
Schistosoma mansoni thymidylate kinase 0.0072 0.0334 0.0012
Giardia lamblia CDC8 0.0072 0.0334 0.0026
Trypanosoma cruzi thymidylate kinase, putative 0.0072 0.0334 0.0023
Toxoplasma gondii DNA polymerase family B protein 0.0101 0.0903 0.137
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0101 0.0903 0.1981
Plasmodium falciparum thymidylate kinase 0.0072 0.0334 0.0732
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0142 0.1732 0.3326
Treponema pallidum thymidylate kinase (tmk) 0.0072 0.0334 1
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0101 0.0903 0.1191
Schistosoma mansoni hypothetical protein 0.0072 0.0334 0.0012
Trichomonas vaginalis thymidylate kinase, putative 0.0072 0.0334 0.0732
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.011 0.1087 0.1567
Schistosoma mansoni thymidylate kinase 0.0072 0.0334 0.0012
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.1867 0.3167
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0101 0.0903 0.137
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0226 0.3432 0.6377
Mycobacterium ulcerans hypothetical protein 0.0165 0.2205 1
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0101 0.0903 0.137
Trichomonas vaginalis DNA polymerase II, putative 0.011 0.1087 0.2384
Trypanosoma brucei RNA helicase, putative 0.0552 1 1
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0282 0.4559 0.4378
Trypanosoma cruzi thymidylate kinase, putative 0.0072 0.0334 0.0023
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0101 0.0903 0.06
Mycobacterium tuberculosis Conserved hypothetical protein 0.0165 0.2205 1
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0282 0.4559 1
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0101 0.0903 0.06
Trypanosoma brucei hypothetical protein, conserved 0.0084 0.0575 0.026
Trypanosoma brucei ingi protein (ORF1) 0.0084 0.0575 0.026
Giardia lamblia DNA polymerase alpha subunit A 0.0086 0.0605 0.0666
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0101 0.0903 0.137
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0101 0.0903 0.06
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0282 0.4559 0.8689
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0084 0.0575 0.026
Echinococcus granulosus thymidylate kinase 0.0072 0.0334 0.0026
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0282 0.4559 0.4378

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 20 uM Compound was tested for the inhibition of mammalian kynureninase in rat liver ChEMBL. 9871640
IC50 (binding) = 20 uM Compound was tested for the inhibition of mammalian kynureninase in rat liver ChEMBL. 9871640

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.