Detailed information for compound 1636208

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 187.279 | Formula: C10H21NO2
  • H donors: 2 H acceptors: 2 LogP: 1.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN1CCC[C@H]([C@H]1CO)O
  • InChi: 1S/C10H21NO2/c1-2-3-6-11-7-4-5-10(13)9(11)8-12/h9-10,12-13H,2-8H2,1H3/t9-,10-/m1/s1
  • InChiKey: HAQUQIUNKHUVAL-NXEZZACHSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus UDP-glucose ceramide glucosyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Candida albicans ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Echinococcus multilocularis ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Schistosoma japonicum ko:K00720 ceramide glucosyltransferase [EC2.4.1.80], putative Get druggable targets OG5_129848 All targets in OG5_129848
Onchocerca volvulus Ceramide glucosyltransferase homolog Get druggable targets OG5_129848 All targets in OG5_129848
Echinococcus granulosus ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Loa Loa (eye worm) ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Candida albicans ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Schistosoma japonicum Ceramide glucosyltransferase, putative Get druggable targets OG5_129848 All targets in OG5_129848
Brugia malayi Ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Schistosoma mansoni ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848

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
Onchocerca volvulus 0.0135 0.1126 0.4035
Schistosoma mansoni protein kinase C mu 0.0034 0.0038 0.0041
Echinococcus multilocularis mitogen activated protein kinase 14 0.0953 1 1
Brugia malayi Protein kinase c protein 2 0.0034 0.0038 0.0038
Schistosoma mansoni sodium/chloride dependent transporter 0.0135 0.1126 0.122
Loa Loa (eye worm) solute carrier family 6 member 4 0.0135 0.1126 0.1126
Loa Loa (eye worm) ceramide glucosyltransferase 0.0288 0.279 0.279
Echinococcus multilocularis mitogen activated protein kinase 14 0.0953 1 1
Giardia lamblia Ceramide glucosyltransferase 0.0131 0.1082 0.5
Echinococcus multilocularis protein kinase c iota type 0.0034 0.0038 0.0038
Entamoeba histolytica diacylglycerol kinase, putative 0.0031 0 0.5
Loa Loa (eye worm) serotonin transporter b 0.0135 0.1126 0.1126
Entamoeba histolytica diacylglycerol kinase, putative 0.0031 0 0.5
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0953 1 1
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0953 1 0.5
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0034 0.0038 0.0038
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0038 0.0041
Echinococcus granulosus mitogen activated protein kinase 14 0.0953 1 1
Brugia malayi Raf kinase 0.0851 0.8894 0.8894
Schistosoma mansoni ceramide glucosyltransferase 0.0288 0.279 0.3023
Loa Loa (eye worm) raf kinase 0.0877 0.9181 0.9181
Echinococcus multilocularis mitogen activated protein kinase 11 0.0953 1 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0034 0.0038 0.0038
Brugia malayi protein kinase C3,putative 0.0034 0.0038 0.0038
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.05 0.5087 0.5087
Brugia malayi protein kinase C II. 0.0034 0.0038 0.0038
Echinococcus multilocularis mitogen activated protein kinase 11 0.0953 1 1
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0288 0.279 1
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0034 0.0038 0.0038
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0034 0.0038 0.0038
Entamoeba histolytica hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.1126 0.1126
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0034 0.0038 0.0038
Schistosoma mansoni biogenic amine (5HT) receptor 0.0289 0.2796 0.303
Loa Loa (eye worm) hypothetical protein 0.0135 0.1126 0.1126
Echinococcus granulosus biogenic amine 5HT receptor 0.0289 0.2796 0.2796
Schistosoma mansoni ceramide glucosyltransferase 0.0288 0.279 0.3023
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0953 1 0.5
Brugia malayi C1-like domain containing protein 0.0034 0.0038 0.0038
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0034 0.0038 0.0038
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0953 1 0.5
Echinococcus multilocularis serotonin receptor 0.0289 0.2796 0.2796
Loa Loa (eye worm) hypothetical protein 0.0289 0.2796 0.2796
Echinococcus multilocularis protein kinase c epsilon type 0.0034 0.0038 0.0038
Schistosoma mansoni atypical protein kinase C 0.0034 0.0038 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0038 0.0041
Brugia malayi Protein kinase domain containing protein 0.0034 0.0038 0.0038
Echinococcus multilocularis serotonin transporter 0.0135 0.1126 0.1126
Echinococcus multilocularis ceramide glucosyltransferase 0.0288 0.279 0.279
Echinococcus multilocularis serotonin receptor 0.0289 0.2796 0.2796
Treponema pallidum sodium- and chloride- dependent transporter 0.0135 0.1126 0.5
Loa Loa (eye worm) hypothetical protein 0.0289 0.2796 0.2796
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0038 0.0041
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0135 0.1126 0.1126
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0953 1 0.5
Echinococcus granulosus mitogen activated protein kinase 11 0.0953 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0038 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0038 0.0041
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0135 0.1126 0.122
Echinococcus granulosus protein kinase c epsilon type 0.0034 0.0038 0.0038
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0034 0.0038 0.0038
Schistosoma mansoni serine/threonine protein kinase 0.0882 0.9228 1
Echinococcus granulosus ceramide glucosyltransferase 0.0288 0.279 0.279
Echinococcus multilocularis raf serine:threonine protein kinase 0.0882 0.9228 0.9228
Loa Loa (eye worm) norepinephrine transporter 0.0135 0.1126 0.1126
Toxoplasma gondii diacylglycerol kinase, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.1126 0.1126
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0034 0.0038 0.0038
Echinococcus granulosus raf serine:threonine protein kinase 0.0882 0.9228 0.9228
Brugia malayi Ceramide glucosyltransferase 0.0288 0.279 0.279
Echinococcus granulosus protein kinase c iota type 0.0034 0.0038 0.0038
Echinococcus granulosus serotonin transporter 0.0135 0.1126 0.1126

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of glucosylceramide synthase in mouse RAW cells preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence scanner ChEMBL. 24900342
IC50 (binding) > 1000 uM Inhibition of glucosylceramidase 2 from spleen of patient with gaucher's disease by fluorimetric analysis ChEMBL. 24900342
Inhibition (binding) Inhibition of glucosylceramide synthase in mouse RAW cells up to 20 uM preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence scanner ChEMBL. 24900342

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

1 literature reference was collected for this gene.

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