Detailed information for compound 1602285

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.277 | Formula: C16H13F2NO2
  • H donors: 1 H acceptors: 1 LogP: 3.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C(=C\c1ccc(cc1)F)/C(=O)Nc1ccc(cc1)F
  • InChi: 1S/C16H13F2NO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-
  • InChiKey: YJHUMICTQLAAOL-GDNBJRDFSA-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 Transient-receptor-potential like protein 0.0032 0.021 0.021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.0327 0.0251
Loa Loa (eye worm) isocitrate dehydrogenase 0.0926 1 1
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0112 0.109 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0327 0.0119
Brugia malayi Probable isocitrate dehydrogenase 0.0112 0.109 0.109
Schistosoma mansoni transient receptor potential channel 0.0057 0.0484 0.0163
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0112 0.109 0.1021
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0926 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0926 1 1
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0112 0.109 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0926 1 1
Schistosoma mansoni unc-13 (munc13) 0.0112 0.109 0.0789
Echinococcus multilocularis muscleblind protein 1 0.0251 0.2611 0.2452
Loa Loa (eye worm) hypothetical protein 0.0029 0.0179 0.0102
Schistosoma mansoni transient receptor potential channel 0.0086 0.0804 0.0493
Echinococcus multilocularis transient receptor potential ion channel A 0.0083 0.0773 0.0574
Brugia malayi Probable isocitrate dehydrogenase 0.0112 0.109 0.109
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0926 1 1
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0112 0.109 0.109
Leishmania major isocitrate dehydrogenase, putative 0.0112 0.109 0.1021
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0112 0.109 0.0899
Loa Loa (eye worm) hypothetical protein 0.0054 0.0452 0.0378
Toxoplasma gondii isocitrate dehydrogenase 0.0926 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0112 0.109 0.0899
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0112 0.109 0.0899
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0926 1 1
Brugia malayi Isocitrate dehydrogenase 0.0926 1 1
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0112 0.109 0.5
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0112 0.109 0.0789
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0327 0.0119
Echinococcus granulosus transient receptor potential ion channel A 0.0083 0.0773 0.0574
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0112 0.109 0.109
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0926 1 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0112 0.109 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0327 0.0119
Echinococcus granulosus short transient receptor potential channel 6 0.0057 0.0484 0.028
Echinococcus granulosus transient receptor potential gamma protein 0.0086 0.0804 0.0607
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0926 1 1
Brugia malayi hypothetical protein 0.002 0.0078 0.0078
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0112 0.109 0.109
Echinococcus multilocularis short transient receptor potential channel 6 0.0057 0.0484 0.028
Loa Loa (eye worm) hypothetical protein 0.0251 0.2611 0.2553
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0926 1 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0057 0.0484 0.028
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0926 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0327 0.0119
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0926 1 1
Schistosoma mansoni transient receptor potential channel 0.0057 0.0484 0.0163
Schistosoma mansoni isocitrate dehydrogenase 0.0112 0.109 0.0789
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0926 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.021 0.0134
Loa Loa (eye worm) hypothetical protein 0.0251 0.2611 0.2553
Loa Loa (eye worm) hypothetical protein 0.0112 0.109 0.1021
Echinococcus granulosus short transient receptor potential channel 6 0.0057 0.0484 0.028
Echinococcus multilocularis muscleblind protein 0.0251 0.2611 0.2452
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0643 0.6901 0.6835
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0112 0.109 0.0899
Echinococcus multilocularis isocitrate dehydrogenase 0.0926 1 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0804 0.0732
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0112 0.109 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0926 1 1
Schistosoma mansoni transient receptor potential channel 4 0.0086 0.0804 0.0493
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.0327 0.0327
Echinococcus multilocularis transient receptor potential gamma protein 0.0086 0.0804 0.0607
Echinococcus granulosus muscleblind protein 0.0251 0.2611 0.2452
Brugia malayi Muscleblind-like protein 0.0251 0.2611 0.2611
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0926 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0926 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0926 1 1

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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