Detailed information for compound 809084

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.423 | Formula: C23H21FN2O3
  • H donors: 1 H acceptors: 2 LogP: 4.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc2CC(Oc2c(c1)c1ccccn1)CNC(=O)C(Oc1ccccc1)C
  • InChi: 1S/C23H21FN2O3/c1-15(28-18-7-3-2-4-8-18)23(27)26-14-19-12-16-11-17(24)13-20(22(16)29-19)21-9-5-6-10-25-21/h2-11,13,15,19H,12,14H2,1H3,(H,26,27)
  • InChiKey: BEALMAQQCNXIIU-UHFFFAOYSA-N  

Network

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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
Brugia malayi RNase H family protein 0.0044 0.0396 0.0549
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0282 0.4542 0.4542
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0047 0.0461 0.0461
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.1096 0.1096
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0053 0.0563 0.1862
Schistosoma mansoni DNA polymerase gamma 0.0195 0.3023 1
Trypanosoma brucei trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma brucei RNA helicase, putative 0.0164 0.248 0.248
Brugia malayi DNA polymerase alpha catalytic subunit 0.0043 0.0388 0.0538
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0023 0.0042 0.0042
Toxoplasma gondii hypothetical protein 0.0096 0.131 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0909 0.1259
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0597 1 1
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0073 0.0909 0.0731
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0053 0.0563 0.1862
Chlamydia trachomatis DNA polymerase I 0.0021 0 0.5
Trypanosoma cruzi ribonuclease H1, putative 0.0044 0.0396 0.0396
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0084 0.1096 0.1096
Plasmodium falciparum DNA polymerase 1, putative 0.0021 0 0.5
Echinococcus granulosus ribonuclease H1 0.0044 0.0396 0.1311
Loa Loa (eye worm) hypothetical protein 0.0427 0.7051 0.9769
Entamoeba histolytica DNA-directed DNA polymerase, putative 0.0021 0 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0597 1 1
Plasmodium vivax DNA polymerase alpha, putative 0.0043 0.0388 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0436 0.7218 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0597 1 1
Trichomonas vaginalis ribonuclease H1, putative 0.0044 0.0396 1
Toxoplasma gondii ribonuclease HI protein 0.0044 0.0396 0.3026
Trypanosoma cruzi trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0102 0.1414 0.1414
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0021 0 0.5
Brugia malayi RNase H family protein 0.0044 0.0396 0.0549
Schistosoma mansoni phosphoglucomutase 0.0044 0.0396 0.1311
Echinococcus granulosus DNA polymerase subunit gamma 0.0195 0.3023 1
Mycobacterium ulcerans hypothetical protein 0.0314 0.5096 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Plasmodium falciparum plastid replication-repair enzyme 0.0021 0 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0084 0.1096 0.1096
Brugia malayi DNA polymerase I family protein 0.0195 0.3023 0.4188
Leishmania major ribonuclease H1, putative 0.0044 0.0396 0.0396
Trichomonas vaginalis DNA polymerase II, putative 0.0023 0.0042 0.1065
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0043 0.0388 0.2964
Echinococcus multilocularis ribonuclease H1 0.0044 0.0396 0.1311
Brugia malayi nuclear hormone receptor 0.0436 0.7218 1
Treponema pallidum ribonuclease H (rnhA) 0.0044 0.0396 1
Trypanosoma brucei ribonuclease H1 0.0044 0.0396 0.0396
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0023 0.0042 0.1065
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0053 0.0563 0.1862
Trypanosoma brucei trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0023 0.0042 0.0042
Trypanosoma brucei ingi protein (ORF1) 0.0047 0.0461 0.0461
Echinococcus multilocularis hypothetical protein 0.0195 0.3023 1
Schistosoma mansoni phosphoglucomutase 0.0044 0.0396 0.1311
Trypanosoma cruzi trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma brucei ingi protein (ORF1) 0.0047 0.0461 0.0461
Trypanosoma cruzi trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Brugia malayi RNase H family protein 0.0044 0.0396 0.0549
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.1096 0.1096
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0023 0.0042 0.0042
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Trypanosoma brucei unspecified product 0.0047 0.0461 0.0461
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi trans-sialidase, putative 0.0032 0.0188 0.0188
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0447 0.7404 1
Schistosoma mansoni hypothetical protein 0.0164 0.248 0.8203
Mycobacterium tuberculosis Conserved hypothetical protein 0.0314 0.5096 1
Schistosoma mansoni phosphoglucomutase 0.0044 0.0396 0.1311
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0282 0.4542 0.4542
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0044 0.0396 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.3023 0.4188
Trypanosoma cruzi trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma brucei trans-sialidase, putative 0.0032 0.0188 0.0188
Giardia lamblia DNA polymerase alpha subunit A 0.0045 0.0421 1
Trypanosoma brucei trans-sialidase 0.0032 0.0188 0.0188
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0282 0.4542 0.4542
Trypanosoma brucei hypothetical protein, conserved 0.0047 0.0461 0.0461
Trypanosoma brucei trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0032 0.0188 0.0188
Trypanosoma brucei trans-sialidase, putative 0.0032 0.0188 0.0188
Trypanosoma cruzi ribonuclease H1, putative 0.0044 0.0396 0.0396

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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