Detailed information for compound 1035272

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.827 | Formula: C16H25ClFNO2
  • H donors: 0 H acceptors: 1 LogP: 4.02 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCOC(=O)C(c1ccccc1)(CF)C)CC.Cl
  • InChi: 1S/C16H24FNO2.ClH/c1-4-18(5-2)11-12-20-15(19)16(3,13-17)14-9-7-6-8-10-14;/h6-10H,4-5,11-13H2,1-3H3;1H
  • InChiKey: YZXRSMKIGLRIAB-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
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0223 0.1004 0.8795
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0 0.5
Mycobacterium ulcerans lipase LipD 0.0041 0 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0248 0.1142 0.9268
Echinococcus granulosus thioredoxin glutathione reductase 0.0099 0.0315 0.0759
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0 0.5
Giardia lamblia Telomerase catalytic subunit 0.0506 0.2565 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0223 0.1004 0.8151
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0248 0.1142 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0223 0.1004 0.8151
Leishmania major telomerase reverse transcriptase, putative 0.0506 0.2565 1
Brugia malayi Thioredoxin reductase 0.0098 0.0312 0.0433
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0248 0.1142 0.9268
Plasmodium vivax glutathione reductase, putative 0.0098 0.0312 0.1215
Trypanosoma cruzi trypanothione reductase, putative 0.0098 0.0312 0.1215
Trypanosoma brucei trypanothione reductase 0.0098 0.0312 0.1215
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0098 0.0312 0.2531
Plasmodium vivax telomerase reverse transcriptase, putative 0.0506 0.2565 1
Leishmania major trypanothione reductase 0.0098 0.0312 0.1215
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0 0.5
Trichomonas vaginalis esterase, putative 0.0041 0 0.5
Toxoplasma gondii thioredoxin reductase 0.0098 0.0312 0.1215
Plasmodium vivax thioredoxin reductase, putative 0.0098 0.0312 0.1215
Loa Loa (eye worm) glutathione reductase 0.0098 0.0312 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0223 0.1004 0.8151
Mycobacterium tuberculosis Probable oxidoreductase 0.0248 0.1142 0.9268
Loa Loa (eye worm) thioredoxin reductase 0.0098 0.0312 1
Schistosoma mansoni microtubule-associated protein tau 0.0794 0.4153 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0223 0.1004 0.8151
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0506 0.2565 1
Mycobacterium tuberculosis Probable reductase 0.0223 0.1004 0.8151
Plasmodium falciparum telomerase reverse transcriptase 0.0506 0.2565 1
Brugia malayi Telomerase reverse transcriptase 0.1348 0.7206 1
Brugia malayi glutathione reductase 0.0098 0.0312 0.0433
Toxoplasma gondii RNA-directed DNA polymerase 0.0506 0.2565 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0506 0.2565 1
Echinococcus multilocularis microtubule associated protein 2 0.0794 0.4153 1
Echinococcus granulosus microtubule associated protein 2 0.0794 0.4153 1
Trypanosoma brucei telomerase reverse transcriptase 0.0506 0.2565 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0223 0.1004 0.8151
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.1232 1
Mycobacterium ulcerans hypothetical protein 0.0041 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0 0.5
Mycobacterium ulcerans beta-lactamase 0.0041 0 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0099 0.0315 0.0759
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0 0.5

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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