Detailed information for compound 1840469

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.374 | Formula: C20H20F3NO2
  • H donors: 1 H acceptors: 2 LogP: 3.95 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(C1CCCN(C1=O)Cc1ccccc1)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C20H20F3NO2/c21-20(22,23)16-10-8-15(9-11-16)18(25)17-7-4-12-24(19(17)26)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,25H,4,7,12-13H2
  • InChiKey: BVIZHIWREDUGIA-UHFFFAOYSA-N  

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
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0155 0.1538
Entamoeba histolytica hypothetical protein 0.0042 0.0427 0.3721
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0066 0.0888 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0543 1 0.5
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0066 0.0888 0.0481
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0066 0.0888 0.0481
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0028 0.0155 0.0134
Leishmania major isocitrate dehydrogenase, putative 0.0066 0.0888 0.0744
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0066 0.0888 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0066 0.0888 0.0744
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0543 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0543 1 1
Schistosoma mansoni isocitrate dehydrogenase 0.0066 0.0888 0.0481
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0155 0.1538
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0543 1 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0066 0.0888 0.0868
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0066 0.0888 0.0481
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0066 0.0888 0.0888
Toxoplasma gondii isocitrate dehydrogenase 0.0543 1 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0543 1 0.5
Brugia malayi Isocitrate dehydrogenase 0.0543 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0543 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0543 1 1
Schistosoma mansoni unc-13 (munc13) 0.0066 0.0888 0.0481
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0022 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0155 0.0155
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0543 1 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0066 0.0888 0.0744
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0543 1 0.5
Onchocerca volvulus 0.0028 0.0155 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0543 1 1
Brugia malayi hypothetical protein 0.0042 0.0427 0.0277
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0155 0.1538
Entamoeba histolytica hypothetical protein 0.0042 0.0427 0.3721
Brugia malayi Probable isocitrate dehydrogenase 0.0066 0.0888 0.0744
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0155 0.1538
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0543 1 0.5
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0066 0.0888 0.0481
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0022 0.0022
Entamoeba histolytica hypothetical protein 0.0042 0.0427 0.3721
Entamoeba histolytica hypothetical protein 0.0042 0.0427 0.3721
Loa Loa (eye worm) hypothetical protein 0.0066 0.0888 0.0868
Loa Loa (eye worm) isocitrate dehydrogenase 0.0543 1 1
Mycobacterium ulcerans hypothetical protein 0.0028 0.0155 0.1538
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0066 0.0888 0.5
Brugia malayi Probable isocitrate dehydrogenase 0.0066 0.0888 0.0744
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0543 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0155 0.0134
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0543 1 1
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0066 0.0888 0.0744
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0066 0.0888 0.0481
Loa Loa (eye worm) hypothetical protein 0.0028 0.0155 0.0134
Entamoeba histolytica tartrate dehydrogenase, putative 0.0066 0.0888 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0155 0.1538
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0543 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0543 1 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0155 0.1538
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0066 0.0888 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0155 0.1538
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0543 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.

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