Detailed information for compound 1643389

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 505.942 | Formula: C20H23ClF3N5O3S
  • H donors: 5 H acceptors: 6 LogP: 4.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]1C[C@H]([C@@H]([C@@H]1O)O)Nc1nc(NCC(F)(F)F)nc(c1c1nc2c(s1)cccc2)C.Cl
  • InChi: 1S/C20H22F3N5O3S.ClH/c1-9-14(18-27-11-4-2-3-5-13(11)32-18)17(28-19(25-9)24-8-20(21,22)23)26-12-6-10(7-29)15(30)16(12)31;/h2-5,10,12,15-16,29-31H,6-8H2,1H3,(H2,24,25,26,28);1H/t10-,12-,15-,16+;/m1./s1
  • InChiKey: NDIMFWWXOUVYAC-NCZWXGMFSA-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 Zn-finger in Ran binding protein and others containing protein 0.0254 0.3313 0.3253
Trypanosoma cruzi hypothetical protein, conserved 0.0254 0.3313 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0254 0.3313 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0254 0.3313 0.3253
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0713 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0254 0.3313 1
Entamoeba histolytica hypothetical protein 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0254 0.3313 0.3253
Trypanosoma cruzi hypothetical protein, conserved 0.0254 0.3313 1
Trypanosoma brucei hypothetical protein, conserved 0.0254 0.3313 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0254 0.3313 0.3253
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0254 0.3313 1
Loa Loa (eye worm) hypothetical protein 0.0254 0.3313 0.3253
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0254 0.3313 0.3253
Echinococcus multilocularis SWI:SNF matrix associated 0.0713 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0713 1 1
Schistosoma mansoni hypothetical protein 0.0254 0.3313 0.3253
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0713 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0713 1 1
Loa Loa (eye worm) hypothetical protein 0.0254 0.3313 0.3253
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0254 0.3313 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0254 0.3313 0.3253
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0343 0.4615 0.4567
Echinococcus granulosus snurportin 1 0.0343 0.4615 0.4567
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0713 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0713 1 1
Leishmania major hypothetical protein, conserved 0.0254 0.3313 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0254 0.3313 0.3253
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0254 0.3313 0.3253
Onchocerca volvulus 0.0713 1 1
Brugia malayi RNA, U transporter 1 0.0091 0.0951 0.087
Plasmodium vivax hypothetical protein, conserved 0.0713 1 1
Leishmania major hypothetical protein, conserved 0.0254 0.3313 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0254 0.3313 0.3253
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0254 0.3313 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0713 1 1
Leishmania major hypothetical protein, conserved 0.0254 0.3313 1
Trichomonas vaginalis conserved hypothetical protein 0.0713 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0254 0.3313 0.3253
Schistosoma mansoni TRABID protein (C64 family) 0.0254 0.3313 0.3253
Echinococcus multilocularis SWI:SNF matrix associated 0.0713 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0254 0.3313 1
Trypanosoma brucei hypothetical protein, conserved 0.0254 0.3313 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0254 0.3313 1
Trypanosoma cruzi hypothetical protein, conserved 0.0254 0.3313 1
Chlamydia trachomatis SWIB complex protein 0.0713 1 0.5
Echinococcus multilocularis snurportin 1 0.0343 0.4615 0.4567
Schistosoma mansoni RNA binding protein 0.0254 0.3313 0.3253
Schistosoma mansoni zinc finger protein 0.0254 0.3313 0.3253
Echinococcus multilocularis SWI:SNF matrix associated 0.0713 1 1
Loa Loa (eye worm) brahma associated protein 0.0713 1 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0254 0.3313 1
Echinococcus granulosus zinc finger protein Ran binding 0.0254 0.3313 0.3253
Chlamydia trachomatis DNA topoisomerase I 0.0713 1 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0713 1 1
Schistosoma mansoni hypothetical protein 0.0713 1 1
Schistosoma mansoni hypothetical protein 0.0713 1 1
Schistosoma mansoni fusion 0.0254 0.3313 0.3253
Toxoplasma gondii ran binding protein 0.0254 0.3313 0.3253
Echinococcus multilocularis ring and YY1 binding protein 0.0254 0.3313 0.3253
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0254 0.3313 0.3253
Leishmania major hypothetical protein, conserved 0.0254 0.3313 1
Brugia malayi YY1-associated factor 2 0.0254 0.3313 0.3253
Loa Loa (eye worm) hypothetical protein 0.0254 0.3313 0.3253
Schistosoma mansoni brg-1 associated factor 0.0713 1 1
Loa Loa (eye worm) hypothetical protein 0.0254 0.3313 0.3253
Schistosoma mansoni hypothetical protein 0.0343 0.4615 0.4567
Leishmania major hypothetical protein, conserved 0.0254 0.3313 1
Schistosoma mansoni hypothetical protein 0.0713 1 1
Brugia malayi brahma associated protein 60 kDa 0.0713 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0713 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0254 0.3313 1
Echinococcus granulosus ring and YY1 binding protein 0.0254 0.3313 0.3253
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0254 0.3313 0.3253
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0713 1 1

Activities

Activity type Activity value Assay description Source Reference
INH (ADMET) > 20 uM Inhibition of CYP2D6 ChEMBL. 22472692
INH (ADMET) > 20 uM Inhibition of CYP3A4 ChEMBL. 22472692
INH (ADMET) > 20 uM Inhibition of CYP2C9 ChEMBL. 22472692

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

1 literature reference was collected for this gene.

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