Detailed information for compound 1569092

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 534.475 | Formula: C27H23F5N2O4
  • H donors: 2 H acceptors: 3 LogP: 2.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccc(c(c1)F)F
  • InChi: 1S/C25H22F2N2O2.C2HF3O2/c26-22-8-5-17(15-23(22)27)4-6-21-7-9-24(31-21)25(30)29-12-10-19(11-13-29)20-3-1-2-18(14-20)16-28;3-2(4,5)1(6)7/h1-3,5,7-9,14-15,19H,10-13,16,28H2;(H,6,7)
  • InChiKey: MDVOVFWJMODXMG-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
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0061 0.0277 0.0277
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0403 0.688 0.8837
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0291 0.0291
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0291 0.0291
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0448 0.7749 1
Plasmodium falciparum glutathione reductase 0.0177 0.2508 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0291 0.1153
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0291 0.0064
Trypanosoma cruzi trypanothione reductase, putative 0.0177 0.2508 1
Loa Loa (eye worm) thioredoxin reductase 0.0177 0.2508 0.337
Trypanosoma brucei trypanothione reductase 0.0177 0.2508 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0061 0.0277 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0061 0.0277 0.5
Toxoplasma gondii thioredoxin reductase 0.0177 0.2508 1
Brugia malayi Pre-SET motif family protein 0.0062 0.0291 0.0392
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0061 0.0277 0.5
Plasmodium falciparum thioredoxin reductase 0.0177 0.2508 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0061 0.0277 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0403 0.688 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0178 0.2528 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0291 0.0291
Trichomonas vaginalis set domain proteins, putative 0.0491 0.8594 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0291 0.0291
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0247 0.0978
Loa Loa (eye worm) glutathione reductase 0.0177 0.2508 0.337
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0448 0.7749 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0403 0.688 0.8837
Plasmodium vivax SET domain protein, putative 0.0062 0.0291 0.0064
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0177 0.2508 0.2985
Treponema pallidum NADH oxidase 0.0061 0.0277 0.5
Leishmania major trypanothione reductase 0.0177 0.2508 1
Brugia malayi Pre-SET motif family protein 0.0432 0.7441 1
Plasmodium vivax glutathione reductase, putative 0.0177 0.2508 1
Mycobacterium tuberculosis Probable reductase 0.0403 0.688 0.8837
Brugia malayi glutathione reductase 0.0177 0.2508 0.337
Brugia malayi Thioredoxin reductase 0.0177 0.2508 0.337
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0061 0.0277 0.1096
Onchocerca volvulus 0.0491 0.8594 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0403 0.688 0.8837
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0061 0.0277 0.1096
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0448 0.7749 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0061 0.0277 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0403 0.688 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0448 0.7749 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0061 0.0277 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0291 0.1153
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0432 0.7441 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0061 0.0277 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0291 0.0392
Echinococcus multilocularis thioredoxin glutathione reductase 0.0178 0.2528 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0061 0.0277 0.0372
Plasmodium vivax thioredoxin reductase, putative 0.0177 0.2508 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0291 0.1153

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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