Detailed information for compound 806667

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.608 | Formula: C26H31N3O2S
  • H donors: 0 H acceptors: 2 LogP: 4.63 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cccs1)Cc1ccc(cc1)OCCC1CCCCN1C(=O)c1ccccn1
  • InChi: 1S/C26H31N3O2S/c1-28(20-24-8-6-18-32-24)19-21-10-12-23(13-11-21)31-17-14-22-7-3-5-16-29(22)26(30)25-9-2-4-15-27-25/h2,4,6,8-13,15,18,22H,3,5,7,14,16-17,19-20H2,1H3
  • InChiKey: BJIFLUZFMYLTAE-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 DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.0841 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.1713 0.1865
Schistosoma mansoni ceramide glucosyltransferase 0.0814 0.9183 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.0841 1
Trypanosoma brucei protein kinase, putative 0.0108 0.0616 0.5
Echinococcus multilocularis ceramide glucosyltransferase 0.0814 0.9183 1
Brugia malayi Ceramide glucosyltransferase 0.0814 0.9183 0.9183
Trichomonas vaginalis glucosylceramidase, putative 0.0609 0.67 0.6483
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0108 0.0616 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0881 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.0616 0.067
Schistosoma mansoni hypothetical protein 0.0306 0.302 0.3289
Loa Loa (eye worm) hypothetical protein 0.0479 0.5123 0.5123
Trichomonas vaginalis glucosylceramidase, putative 0.0881 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0578 0.6322 0.6081
Echinococcus multilocularis mitogen activated protein kinase 3 0.0108 0.0616 0.067
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0814 0.9183 1
Schistosoma mansoni bile acid beta-glucosidase-related 0.071 0.7925 0.8629
Trichomonas vaginalis glucosylceramidase, putative 0.0881 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0108 0.0616 0.5
Loa Loa (eye worm) hypothetical protein 0.0158 0.1226 0.1226
Trichomonas vaginalis glucosylceramidase, putative 0.0578 0.6322 0.6081
Trichomonas vaginalis glucosylceramidase, putative 0.0881 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0108 0.0616 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0108 0.0616 0.0616
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.1713 0.1865
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0108 0.0616 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0881 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.0841 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0108 0.0616 0.067
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0881 1 1
Echinococcus granulosus bile acid beta glucosidase 0.071 0.7925 0.8629
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.0841 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0108 0.0616 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0578 0.6322 0.6081
Trichomonas vaginalis glucosylceramidase, putative 0.0578 0.6322 0.6081
Echinococcus granulosus ceramide glucosyltransferase 0.0814 0.9183 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.1226 0.1226
Echinococcus multilocularis bile acid beta glucosidase 0.071 0.7925 0.8629
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0108 0.0616 0.5
Schistosoma mansoni ceramide glucosyltransferase 0.0814 0.9183 1
Schistosoma mansoni hypothetical protein 0.0108 0.0618 0.0673
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.0618 0.0618
Loa Loa (eye worm) ceramide glucosyltransferase 0.0814 0.9183 0.9183
Trichomonas vaginalis glucosylceramidase, putative 0.0609 0.67 0.6483
Trichomonas vaginalis glucosylceramidase, putative 0.0881 1 1
Echinococcus granulosus mitogen activated protein kinase 0.0108 0.0616 0.067
Trichomonas vaginalis glucosylceramidase, putative 0.0578 0.6322 0.6081
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.1226 0.1226
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0108 0.0616 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.1226 0.1226
Giardia lamblia Ceramide glucosyltransferase 0.0369 0.3783 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0108 0.0616 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0108 0.0616 0.067
Loa Loa (eye worm) hypothetical protein 0.0108 0.0618 0.0618
Trichomonas vaginalis glucosylceramidase, putative 0.0578 0.6322 0.6081
Schistosoma mansoni bile acid beta-glucosidase-related 0.071 0.7925 0.8629
Echinococcus granulosus non lysosomal glucosylceramidase 0.071 0.7925 0.8629
Brugia malayi MAP kinase sur-1 0.0108 0.0616 0.0616
Trichomonas vaginalis glucosylceramidase, putative 0.0578 0.6322 0.6081
Echinococcus multilocularis non lysosomal glucosylceramidase 0.071 0.7925 0.8629

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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