Detailed information for compound 919547

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 262.255 | Formula: C14H12F2N2O
  • H donors: 1 H acceptors: 2 LogP: 2.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccnc(c1)NC(=O)c1ccc(c(c1C)F)F
  • InChi: 1S/C14H12F2N2O/c1-8-5-6-17-12(7-8)18-14(19)10-3-4-11(15)13(16)9(10)2/h3-7H,1-2H3,(H,17,18,19)
  • InChiKey: JECPBZVCLNAIGU-UHFFFAOYSA-N  


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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
Echinococcus multilocularis geminin 0.0167 0.504 0.504
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0207 0.6534 0.5
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0207 0.6534 0.5
Plasmodium falciparum importin beta, putative 0.0028 0 0.5
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0207 0.6534 0.5
Plasmodium vivax importin-beta 2, putative 0.0028 0 0.5
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0207 0.6534 0.5
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0207 0.6534 0.5
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0207 0.6534 0.5
Schistosoma mansoni hypothetical protein 0.0167 0.504 0.504
Echinococcus multilocularis snurportin 1 0.0302 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0 0.5
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0207 0.6534 0.5
Mycobacterium ulcerans putative regulatory protein 0.0207 0.6534 0.5
Mycobacterium ulcerans two component transcriptional regulator 0.0207 0.6534 0.5
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0207 0.6534 0.5
Brugia malayi RNA, U transporter 1 0.0081 0.1906 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 1 1
Mycobacterium ulcerans hypothetical protein 0.0207 0.6534 0.5
Schistosoma mansoni hypothetical protein 0.0167 0.504 0.504
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0 0.5
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0207 0.6534 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0 0.5
Echinococcus granulosus geminin 0.0167 0.504 0.504
Schistosoma mansoni hypothetical protein 0.0302 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.64 uM Antimicrobial activity against bloodstream form of Trypanosoma brucei rhodesiense STIB 900 after 70 hrs by alamar blue assay ChEMBL. 24978605
IC50 (functional) = 0.9 uM Antimicrobial activity against bloodstream form of Trypanosoma brucei brucei 427 after 48 hrs by alamar blue assay ChEMBL. 24978605
IC50 (functional) = 72 uM Antimicrobial activity against erythrocytic stage of Plasmodium falciparum NF54 infected in human washed RBC assessed as [3H]-hypoxanthine incorporation incubated for 48 hrs prior to [3H]-hypoxanthine addition measured after 24 hrs by liquid scintillation counting analysis ChEMBL. 24978605
IC50 (functional) > 113 uM Antimicrobial activity against amastigote form of Leishmania donovani MHOM/ET/67/L82 after 70 hrs by alamar blue assay ChEMBL. 24978605
IC50 (functional) = 147 uM Antimicrobial activity against trypomastigote form of Trypanosoma cruzi Tulahuen C2C4 infected in rat L6 cells after 96 hrs by microscopic analysis ChEMBL. 24978605

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense 24978605

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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