Detailed information for compound 729359

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.443 | Formula: C22H23FN4O
  • H donors: 0 H acceptors: 2 LogP: 3.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN1CCN(CC1)Cc1cn(nc1c1ccc(cc1)F)c1ccc(cc1)C
  • InChi: 1S/C22H23FN4O/c1-17-2-8-21(9-3-17)27-15-19(14-25-10-12-26(16-28)13-11-25)22(24-27)18-4-6-20(23)7-5-18/h2-9,15-16H,10-14H2,1H3
  • InChiKey: OVZVKIGNUXKOQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Loa Loa (eye worm) beta-lactamase 0.0074 0.06 0.1137
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.06 0.1137
Mycobacterium ulcerans lipase LipD 0.0074 0.06 0.5
Schistosoma mansoni tar DNA-binding protein 0.0259 0.4963 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.06 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0075 0.0628 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.06 0.0687
Onchocerca volvulus 0.0177 0.3029 1
Echinococcus granulosus tumor protein p63 0.0396 0.8188 1
Brugia malayi TAR-binding protein 0.0259 0.4963 1
Brugia malayi beta-lactamase family protein 0.0074 0.06 0.1208
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.06 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.0628 0.5
Leishmania major hypothetical protein, conserved 0.0075 0.0628 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.06 0.1137
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.06 0.1137
Brugia malayi beta-lactamase 0.0074 0.06 0.1208
Loa Loa (eye worm) hypothetical protein 0.0074 0.06 0.1137
Schistosoma mansoni tar DNA-binding protein 0.0259 0.4963 1
Brugia malayi latrophilin 2 splice variant baaae 0.0109 0.1414 0.2849
Loa Loa (eye worm) hypothetical protein 0.0058 0.0221 0.0369
Onchocerca volvulus 0.0074 0.06 0.1348
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.4414 0.5368
Mycobacterium ulcerans beta-lactamase 0.0074 0.06 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.06 0.1137
Echinococcus multilocularis tar DNA binding protein 0.0259 0.4963 0.6043
Onchocerca volvulus 0.0074 0.06 0.1348
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.06 0.5
Onchocerca volvulus 0.0074 0.06 0.1348
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0159 0.2599 0.5236
Echinococcus granulosus tar DNA binding protein 0.0259 0.4963 0.6043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0159 0.2599 0.5197
Loa Loa (eye worm) TAR-binding protein 0.0259 0.4963 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.4414 0.8884
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0259 0.4963 1
Mycobacterium leprae Probable lipase LipE 0.0074 0.06 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0058 0.0221 0.0369
Loa Loa (eye worm) hypothetical protein 0.0074 0.06 0.1137
Schistosoma mansoni tar DNA-binding protein 0.0259 0.4963 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.06 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.004 0.008
Brugia malayi hypothetical protein 0.0177 0.3029 0.6102
Loa Loa (eye worm) hypothetical protein 0.0075 0.0628 0.1196
Mycobacterium leprae conserved hypothetical protein 0.0074 0.06 0.5
Loa Loa (eye worm) hypothetical protein 0.0159 0.2599 0.5197
Loa Loa (eye worm) hypothetical protein 0.0177 0.3029 0.6071
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.0628 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.06 0.1137
Brugia malayi RNA binding protein 0.0259 0.4963 1
Brugia malayi hypothetical protein 0.0236 0.4414 0.8893
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.0628 1
Trichomonas vaginalis esterase, putative 0.0074 0.06 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.06 0.1137
Schistosoma mansoni tar DNA-binding protein 0.0259 0.4963 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1414 0.2792
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.06 0.1208
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.06 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.0628 0.5
Mycobacterium ulcerans hypothetical protein 0.0074 0.06 0.5
Brugia malayi beta-lactamase family protein 0.0074 0.06 0.1208
Plasmodium vivax ataxin-2 like protein, putative 0.0075 0.0628 1
Schistosoma mansoni tar DNA-binding protein 0.0259 0.4963 1
Brugia malayi hypothetical protein 0.0075 0.0628 0.1266
Schistosoma mansoni hypothetical protein 0.0109 0.1414 0.2792
Brugia malayi Latrophilin receptor protein 2 0.005 0.004 0.008
Echinococcus multilocularis tumor protein p63 0.0396 0.8188 1
Loa Loa (eye worm) RNA binding protein 0.0259 0.4963 1
Brugia malayi RNA recognition motif domain containing protein 0.0259 0.4963 1
Trypanosoma brucei PAB1-binding protein , putative 0.0075 0.0628 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0159 0.2599 0.5236
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.06 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.06 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.06 0.1137
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.06 0.0687
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.4414 0.5368

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.