Detailed information for compound 1807304

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.402 | Formula: C20H22F3N3O4
  • H donors: 1 H acceptors: 2 LogP: 4.38 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C(\c1ccccc1COc1nc(ccc1C(F)(F)F)OC(C)C)/C(=O)NC
  • InChi: 1S/C20H22F3N3O4/c1-12(2)30-16-10-9-15(20(21,22)23)19(25-16)29-11-13-7-5-6-8-14(13)17(26-28-4)18(27)24-3/h5-10,12H,11H2,1-4H3,(H,24,27)/b26-17+
  • InChiKey: ISGQQUOQKPWVLS-YZSQISJMSA-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 hypothetical protein 0.0164 0.3404 0.3404
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0082 0.1241 0.0467
Onchocerca volvulus DNA polymerase homolog 0.0147 0.2972 0.2972
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0212 0.4681 0.4681
Trypanosoma cruzi DNA polymerase zeta catalytic subunit, putative 0.0066 0.0813 0.0813
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0737 0.0737
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0413 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0813 0.0813
Loa Loa (eye worm) hypothetical protein 0.0082 0.1241 0.1241
Mycobacterium ulcerans lipase LipD 0.0035 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0063 0.0737 0.0737
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0147 0.2972 0.1283
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0147 0.2972 0.2972
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0075 0.1062 0.0271
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0737 0.0737
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0413 1 1
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0413 1 1
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0066 0.0813 0.0813
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0 0.5
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0413 1 1
Plasmodium vivax DNA polymerase alpha, putative 0.0179 0.3804 0.3804
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0147 0.2972 0.2972
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0147 0.2972 0.2972
Leishmania major DNA polymerase zeta catalytic subunit, putative 0.0066 0.0813 0.0813
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0413 1 1
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0147 0.2972 0.2972
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0147 0.2972 0.2972
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0147 0.2972 0.2972
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0147 0.2972 0.2972
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.019 0.4098 0.4098
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0147 0.2972 0.2972
Loa Loa (eye worm) hypothetical protein 0.0066 0.0813 0.0813
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0737 0.0737
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0413 1 1
Mycobacterium ulcerans beta-lactamase 0.0035 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0035 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0737 0.0737
Brugia malayi DNA polymerase alpha catalytic subunit 0.0179 0.3804 0.3804
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0413 1 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.0737 0.0737
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0082 0.1241 0.1241
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0157 0.3222 0.3222
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0413 1 1
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0082 0.1241 0.1241
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0332 0.784 0.784
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0413 1 1
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0157 0.3222 0.3222
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0737 0.0737
Schistosoma mansoni hypothetical protein 0.0164 0.3404 0.3404
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0075 0.1062 0.0271
Toxoplasma gondii DNA polymerase 0.0413 1 1
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0147 0.2972 0.2972
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0413 1 1
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0157 0.3222 0.3222
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.019 0.4098 0.4098
Mycobacterium leprae Probable lipase LipE 0.0035 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.1241 0.1241
Brugia malayi DNA polymerase family B containing protein 0.0147 0.2972 0.2972
Echinococcus multilocularis geminin 0.0164 0.3404 0.3404
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0413 1 1
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0147 0.2972 0.2972
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0737 0.0737
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0413 1 1
Toxoplasma gondii DNA polymerase family B protein 0.0147 0.2972 0.2972
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0147 0.2972 0.2972
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.4949 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0813 0.0813
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0737 0.0737
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0147 0.2972 0.2972
Brugia malayi TAR-binding protein 0.0063 0.0737 0.0737
Brugia malayi RNA binding protein 0.0063 0.0737 0.0737
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0413 1 1
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.0147 0.2972 0.2972
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.019 0.4098 0.4098
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0147 0.2972 0.2972
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0147 0.2972 0.2972
Toxoplasma gondii DNA polymerase family B protein 0.0066 0.0813 0.0813
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0147 0.2972 0.2972
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0157 0.3222 0.3222
Echinococcus granulosus geminin 0.0164 0.3404 0.3404
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0179 0.3804 0.3804
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0737 0.0737
Trichomonas vaginalis DNA polymerase II, putative 0.0157 0.3222 0.3222
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0147 0.2972 0.2972
Mycobacterium leprae conserved hypothetical protein 0.0035 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0737 0.0737
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0212 0.4681 0.4681

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.

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