Detailed information for compound 791091
Basic information
Technical information
- Name: Unnamed compound
- MW: 447.889 | Formula: C25H19ClFN3O2
-
H donors: 2
H acceptors: 2
LogP: 4.17
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Fc1ccc(c(c1)Cl)NC(=O)C1c2ccccc2C(=O)N(C1c1c[nH]c2c1cccc2)C
- InChi: 1S/C25H19ClFN3O2/c1-30-23(18-13-28-20-9-5-4-6-15(18)20)22(16-7-2-3-8-17(16)25(30)32)24(31)29-21-11-10-14(27)12-19(21)26/h2-13,22-23,28H,1H3,(H,29,31)
- InChiKey: GXRDWIOWJWWBCN-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 |
|---|---|---|---|---|
| Plasmodium falciparum | ubiquitin-conjugating enzyme E2 N, putative | 0.0078 | 1 | 1 |
| Trypanosoma brucei | cytochrome P450, putative | 0.0026 | 0.1582 | 0.1582 |
| Echinococcus granulosus | DNA apurinic or apyrimidinic site lyase | 0.0019 | 0.0457 | 0.0457 |
| Schistosoma mansoni | ap endonuclease | 0.0019 | 0.0457 | 0.0457 |
| Trypanosoma cruzi | ubiquitin-conjugating enzyme E2, putative | 0.0078 | 1 | 1 |
| Echinococcus multilocularis | ubiquitin conjugating enzyme E2 N | 0.0078 | 1 | 1 |
| Brugia malayi | Cytochrome P450 family protein | 0.0026 | 0.1582 | 0.1582 |
| Entamoeba histolytica | hypothetical protein | 0.0038 | 0.3524 | 0.3214 |
| Toxoplasma gondii | ubiquitin-conjugating enzyme subfamily protein | 0.0078 | 1 | 1 |
| Plasmodium vivax | ubiquitin-conjugating enzyme E2 N, putative | 0.0078 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | exonuclease III | 0.0019 | 0.0457 | 0.5 |
| Schistosoma mansoni | ap endonuclease | 0.0019 | 0.0457 | 0.0457 |
| Leishmania major | ubiquitin-conjugating enzyme e2, putative | 0.0078 | 1 | 1 |
| Entamoeba histolytica | ubiquitin-conjugating enzyme family protein | 0.0078 | 1 | 1 |
| Trypanosoma cruzi | cytochrome P450, putative | 0.0026 | 0.1582 | 0.1582 |
| Brugia malayi | ubiquitin conjugating enzyme protein 13 | 0.0078 | 1 | 1 |
| Echinococcus multilocularis | DNA (apurinic or apyrimidinic site) lyase | 0.0019 | 0.0457 | 0.0457 |
| Brugia malayi | hypothetical protein | 0.0038 | 0.3524 | 0.3524 |
| Trypanosoma cruzi | cytochrome P450, putative | 0.0026 | 0.1582 | 0.1582 |
| Entamoeba histolytica | hypothetical protein | 0.0038 | 0.3524 | 0.3214 |
| Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0026 | 0.1582 | 1 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0019 | 0.0457 | 0.5 |
| Trypanosoma cruzi | apurinic/apyrimidinic endonuclease, putative | 0.0019 | 0.0457 | 0.0457 |
| Entamoeba histolytica | hypothetical protein | 0.0038 | 0.3524 | 0.3214 |
| Trichomonas vaginalis | ubiquitin-conjugating enzyme E2, putative | 0.0078 | 1 | 1 |
| Loa Loa (eye worm) | ubiquitin conjugating enzyme protein 13 | 0.0078 | 1 | 1 |
| Loa Loa (eye worm) | ubiquitin conjugating enzyme protein 13 | 0.0078 | 1 | 1 |
| Leishmania major | apurinic/apyrimidinic endonuclease-redox protein | 0.0019 | 0.0457 | 0.0457 |
| Echinococcus granulosus | ubiquitin conjugating enzyme E2 N | 0.0078 | 1 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0026 | 0.1582 | 0.1582 |
| Schistosoma mansoni | hypothetical protein | 0.0038 | 0.3524 | 0.3524 |
| Mycobacterium leprae | putative cytochrome p450 | 0.0016 | 0 | 0.5 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0026 | 0.1582 | 0.1582 |
| Toxoplasma gondii | exonuclease III APE | 0.0019 | 0.0457 | 0.0457 |
| Mycobacterium leprae | Conserved hypothetical protein | 0.0016 | 0 | 0.5 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0058 | 0.6889 | 0.6889 |
| Brugia malayi | Cytochrome P450 family protein | 0.0058 | 0.6889 | 0.6889 |
| Trypanosoma cruzi | ubiquitin-conjugating enzyme E2, putative | 0.0078 | 1 | 1 |
| Trypanosoma cruzi | apurinic/apyrimidinic endonuclease | 0.0019 | 0.0457 | 0.0457 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0038 | 0.3524 | 0.3524 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0019 | 0.0457 | 0.0457 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0019 | 0.0457 | 0.5 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0038 | 0.3524 | 0.3524 |
| Trypanosoma brucei | ubiquitin-protein ligase, putative | 0.0078 | 1 | 1 |
| Brugia malayi | Cytochrome P450 family protein | 0.0026 | 0.1582 | 0.1582 |
| Entamoeba histolytica | hypothetical protein | 0.0038 | 0.3524 | 0.3214 |
| Schistosoma mansoni | ubiquitin conjugating enzyme 13 | 0.0078 | 1 | 1 |
| Trichomonas vaginalis | ubiquitin-conjugating enzyme E2, putative | 0.0078 | 1 | 1 |
| Mycobacterium tuberculosis | Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) | 0.0019 | 0.0457 | 1 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0019 | 0.0457 | 0.0457 |
| Trypanosoma brucei | apurinic/apyrimidinic endonuclease, putative | 0.0019 | 0.0457 | 0.0457 |
| Mycobacterium ulcerans | exodeoxyribonuclease III protein XthA | 0.0019 | 0.0457 | 0.2888 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0038 | 0.3524 | 0.3524 |
| Loa Loa (eye worm) | CYP4Cod1 | 0.0026 | 0.1582 | 0.1582 |
| Leishmania major | cytochrome p450-like protein | 0.0026 | 0.1582 | 0.1582 |
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.
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
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Bibliographic References
No literature references available for this target.
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