Detailed information for compound 1637201

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.451 | Formula: C25H22F2N2O3
  • H donors: 2 H acceptors: 3 LogP: 5.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)Cn1c2ccc(cc2c(c1C(=O)O)c1ccc[nH]c1=O)C(C)(C)C)F
  • InChi: 1S/C25H22F2N2O3/c1-25(2,3)15-6-9-20-18(12-15)21(17-5-4-10-28-23(17)30)22(24(31)32)29(20)13-14-11-16(26)7-8-19(14)27/h4-12H,13H2,1-3H3,(H,28,30)(H,31,32)
  • InChiKey: AIJPLJYFZILWKN-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
Brugia malayi hypothetical protein 0.0176 0.2123 0.2123
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0284
Plasmodium falciparum importin beta, putative 0.0034 0.0266 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2741 1
Schistosoma mansoni ran 0.0025 0.015 0.015
Trichomonas vaginalis ran, putative 0.0025 0.015 0.5287
Schistosoma mansoni protein kinase 0.0781 1 1
Entamoeba histolytica Ran family GTPase 0.0025 0.015 0.8204
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0284 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.015 1
Echinococcus multilocularis integrin linked protein kinase 0.0781 1 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.015 0.015
Trichomonas vaginalis esterase, putative 0.0035 0.0284 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.015 0.015
Echinococcus granulosus snurportin 1 0.0359 0.4504 0.4504
Loa Loa (eye worm) TKL/MLK/ILK protein kinase 0.0781 1 1
Onchocerca volvulus 0.0035 0.0284 0.1335
Toxoplasma gondii ABC1 family protein 0.0035 0.0284 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0284 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0284
Schistosoma mansoni hypothetical protein 0.0359 0.4504 0.4504
Brugia malayi beta-lactamase 0.0035 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0284
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0284 0.5
Brugia malayi RNA, U transporter 1 0.0096 0.1073 0.1073
Loa Loa (eye worm) hypothetical protein 0.0034 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0284
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0284 1
Plasmodium vivax importin-beta 2, putative 0.0034 0.0266 0.8655
Brugia malayi Importin beta-1 subunit 0.0034 0.0266 0.0266
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0266 0.8655
Onchocerca volvulus 0.0035 0.0284 0.1335
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0284
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0284 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0284 0.0284
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0183 0.6444
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0284 0.0284
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0359 0.4504 0.4504
Echinococcus granulosus importin subunit beta 1 0.0034 0.0266 0.0266
Mycobacterium ulcerans hypothetical protein 0.0035 0.0284 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0284 0.0284
Mycobacterium ulcerans lipase LipD 0.0035 0.0284 0.5
Echinococcus granulosus integrin linked protein kinase 0.0781 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0284 1
Leishmania major hypothetical protein, conserved 0.0035 0.0284 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0284
Schistosoma mansoni ran 0.0025 0.015 0.015
Onchocerca volvulus 0.0035 0.0284 0.1335
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.015 0.015
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0284 0.0284
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0284 0.0284
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.015 0.015
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0284 0.0284
Schistosoma mansoni protein kinase 0.0781 1 1
Entamoeba histolytica hypothetical protein 0.0027 0.0183 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0284 1
Onchocerca volvulus 0.0176 0.2123 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0183 0.2455
Schistosoma mansoni importin beta-1 0.0034 0.0266 0.0266
Echinococcus multilocularis snurportin 1 0.0359 0.4504 0.4504
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0284 1
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0266 0.0266
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0284 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0284 0.5
Mycobacterium leprae Probable lipase LipE 0.0035 0.0284 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0266 0.8655
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0183 0.6444
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0266 0.8655
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0284 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0284 0.5
Loa Loa (eye worm) hypothetical protein 0.0176 0.2123 0.2123
Brugia malayi beta-lactamase family protein 0.0035 0.0284 0.0284
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0183 0.6444
Mycobacterium ulcerans beta-lactamase 0.0035 0.0284 0.5
Leishmania major importin beta-1 subunit, putative 0.0027 0.0183 0.2455
Loa Loa (eye worm) beta-lactamase 0.0035 0.0284 0.0284
Brugia malayi beta-lactamase family protein 0.0035 0.0284 0.0284

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.

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