Detailed information for compound 691430

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.491 | Formula: C22H22FN3O4S
  • H donors: 0 H acceptors: 4 LogP: 1.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc2CCC(=O)N3c2c(c1)CC3
  • InChi: 1S/C22H22FN3O4S/c23-18-4-1-15(2-5-18)22(28)24-9-11-25(12-10-24)31(29,30)19-13-16-3-6-20(27)26-8-7-17(14-19)21(16)26/h1-2,4-5,13-14H,3,6-12H2
  • InChiKey: ZJJKVHXZPBASCW-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
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0061 0.014 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3526 1
Loa Loa (eye worm) integrin beta-2 0.0382 0.5542 0.5542
Brugia malayi Pre-SET motif family protein 0.0211 0.267 0.2602
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.0797 0.1441
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0332 0.47 1
Trichomonas vaginalis set domain proteins, putative 0.024 0.3161 0.7593
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.0797 0.0711
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.1519 0.3024
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.0797 0.1441
Echinococcus multilocularis integrin beta 2 0.0283 0.3877 0.8195
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0061 0.014 0.0048
Brugia malayi Integrin beta pat-3 precursor 0.0382 0.5542 0.5501
Brugia malayi Choline O-acetyltransferase 0.0061 0.014 0.0048
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.0823 0.2475
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3526 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0332 0.47 1
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0058 0.0093 0.0093
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0332 0.47 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0061 0.014 0.5
Echinococcus multilocularis expressed conserved protein 0.0094 0.0695 0.1218
Loa Loa (eye worm) hypothetical protein 0.0058 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0061 0.014 0.014
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0332 0.47 1
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3526 1
Brugia malayi Choline O-acetyltransferase 0.0061 0.014 0.0048
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0061 0.014 0.014
Echinococcus granulosus expressed conserved protein 0.0094 0.0695 0.1218
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3526 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.1519 0.3024
Onchocerca volvulus 0.024 0.3161 1
Echinococcus granulosus integrin beta 2 0.0283 0.3877 0.8195
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0061 0.014 0.014
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.201 0.6189
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0061 0.014 0.0048
Schistosoma mansoni integrin beta subunit 0.0225 0.29 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0262 0.3526 0.3466
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.0797 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0061 0.014 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2165 0.1027
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0262 0.3526 0.3526
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3526 1
Trypanosoma brucei hypothetical protein, conserved 0.0061 0.014 0.5
Loa Loa (eye worm) choline O-acetyltransferase 0.0061 0.014 0.014
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3526 1
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0332 0.47 1
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0061 0.014 0.5
Loa Loa (eye worm) hypothetical protein 0.0647 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2165 0.1027
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.267 0.267
Loa Loa (eye worm) hypothetical protein 0.01 0.0797 0.0797

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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