Detailed information for compound 813836

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.823 | Formula: C22H16ClF3N2O2
  • H donors: 1 H acceptors: 2 LogP: 5.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc2CC(Oc2c(c1)c1ccncc1)CNC(=O)c1ccccc1C(F)(F)F
  • InChi: 1S/C22H16ClF3N2O2/c23-15-9-14-10-16(30-20(14)18(11-15)13-5-7-27-8-6-13)12-28-21(29)17-3-1-2-4-19(17)22(24,25)26/h1-9,11,16H,10,12H2,(H,28,29)
  • InChiKey: IHNSPWXVZZGUHN-UHFFFAOYSA-N  


Substructure search Similarity search

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.1183 0.1183
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0075 1 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Onchocerca volvulus Cathepsin L homolog 0.0022 0.1183 0.1183
Echinococcus granulosus cathepsin L cysteine proteinase 0.0022 0.1183 0.1183
Brugia malayi Cathepsin L-like precursor 0.0022 0.1183 0.1183
Trypanosoma cruzi cruzipain precursor, putative 0.0022 0.1183 0.1183
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1183 0.1183
Onchocerca volvulus 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1183 0.1183
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0075 1 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0075 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0075 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Loa Loa (eye worm) fibroinase 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0075 1 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0075 1 1
Brugia malayi Cathepsin L-like precursor 0.0022 0.1183 0.1183
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0075 1 1
Brugia malayi Cathepsin L-like precursor 0.0022 0.1183 0.1183
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1183 0.1183
Onchocerca volvulus 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Onchocerca volvulus 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1183 0.1183
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.1183 0.1183
Onchocerca volvulus 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0075 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0075 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1183 0.1183
Brugia malayi Cathepsin L-like precursor 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Onchocerca volvulus 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Treponema pallidum ATP-dependent RNA helicase 0.0075 1 0.5
Onchocerca volvulus Cathepsin L homolog 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1183 0.1183
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0075 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0075 1 1
Onchocerca volvulus Cathepsin F homolog 0.0022 0.1183 0.1183
Echinococcus granulosus cathepsin l cysteine peptidase 0.0022 0.1183 0.1183
Leishmania major eukaryotic initiation factor 4a, putative 0.0075 1 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0075 1 1
Brugia malayi Cathepsin L-like precursor 0.0022 0.1183 0.1183
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.1183 0.1183
Brugia malayi Cathepsin L-like precursor 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0075 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1183 0.1183
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1183 0.1183
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0075 1 1
Loa Loa (eye worm) ctsf protein 0.0022 0.1183 0.1183
Entamoeba histolytica cysteine protease, putative 0.0022 0.1183 0.1183
Onchocerca volvulus 0.0022 0.1183 0.1183
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0075 1 1
Onchocerca volvulus 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0075 1 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0075 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.1183 0.1183
Plasmodium vivax RNA helicase-1, putative 0.0075 1 1
Loa Loa (eye worm) cysteine protease 0.0022 0.1183 0.1183
Loa Loa (eye worm) hypothetical protein 0.0022 0.1183 0.1183
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0022 0.1183 0.1183
Loa Loa (eye worm) hypothetical protein 0.0075 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0075 1 1
Echinococcus granulosus cathepsin l1 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1183 0.1183
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0075 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.1183 0.1183
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0022 0.1183 0.1183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1183 0.1183

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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