Detailed information for compound 44686

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.343 | Formula: C16H22O4
  • H donors: 0 H acceptors: 3 LogP: 1.31 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1CCC/C=C\[C@H]2[C@H](C(=O)CCC(=O)O1)CC(=O)C2
  • InChi: 1S/C16H22O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6,11-12,14H,2-3,5,7-10H2,1H3/b6-4-/t11-,12+,14+/m0/s1
  • InChiKey: SXLRTDFNLPCKBK-DGQBXJIASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0161 0.1519 0.1519
Brugia malayi Inositol-1 0.0037 0.0187 0.0187
Echinococcus granulosus sodium and chloride dependent glycine 0.0161 0.1519 0.1519
Loa Loa (eye worm) solute carrier family 6 member 4 0.0947 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0151 0.1411 0.1411
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0145 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0161 0.1519 0.1519
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0119 0.1069 0.1069
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.163 0.5987
Plasmodium vivax amine transporter, putative 0.0161 0.1519 1
Loa Loa (eye worm) inositol-1 0.0037 0.0187 0.0187
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0177 0.0177
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0161 0.1519 0.1519
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.163 0.5987
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0187 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0161 0.1519 0.1519
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0161 0.1519 0.1519
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0161 0.1519 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0161 0.1519 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.0063 0.0063
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.163 0.5987
Loa Loa (eye worm) hypothetical protein 0.0161 0.1519 0.1519
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.2359 0.2359
Trypanosoma brucei C-8 sterol isomerase, putative 0.0737 0.773 1
Loa Loa (eye worm) serotonin transporter b 0.0947 1 1
Brugia malayi hypothetical protein 0.0239 0.2359 0.2359
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0161 0.1519 0.1519
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.2596 1
Echinococcus granulosus muscleblind protein 0.0151 0.1411 0.1411
Loa Loa (eye worm) hypothetical protein 0.0239 0.2359 0.2359
Loa Loa (eye worm) hypothetical protein 0.0161 0.1519 0.1519
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.2596 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0161 0.1519 0.1519
Schistosoma mansoni sodium/chloride dependent transporter 0.0161 0.1519 0.1519
Schistosoma mansoni sodium/chloride dependent transporter 0.0161 0.1519 0.1519
Onchocerca volvulus Glucosylceramidase homolog 0.0171 0.163 0.163
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0161 0.1519 0.1519
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0187 0.5
Loa Loa (eye worm) hypothetical protein 0.0161 0.1519 0.1519
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0947 1 1
Loa Loa (eye worm) hypothetical protein 0.0737 0.773 0.773
Schistosoma mansoni survival motor neuron protein 0.0049 0.031 0.031
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 0.0382 0.3907 0.3907
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1411 0.1411
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0328 0.0328
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0119 0.1069 0.1069
Loa Loa (eye worm) hypothetical protein 0.0039 0.0203 0.0203
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0737 0.773 0.773
Plasmodium falciparum amino acid transporter, putative 0.0161 0.1519 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.1519 0.1519
Schistosoma mansoni inositol monophosphatase 0.0037 0.0187 0.0187
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0328 0.0328
Loa Loa (eye worm) hypothetical protein 0.005 0.0328 0.0328
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.163 0.5987
Loa Loa (eye worm) hypothetical protein 0.0161 0.1519 0.1519
Onchocerca volvulus 0.0161 0.1519 0.1519
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0176 0.0176
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0187 0.0187
Schistosoma mansoni hypothetical protein 0.0049 0.031 0.031
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.2596 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0187 0.0187
Onchocerca volvulus 0.0161 0.1519 0.1519
Treponema pallidum sodium- and chloride- dependent transporter 0.0947 1 0.5
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0737 0.773 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0435 0.0435
Onchocerca volvulus 0.0161 0.1519 0.1519
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0161 0.1519 0.1519
Loa Loa (eye worm) hypothetical protein 0.0161 0.1519 0.1519
Schistosoma mansoni sodium-dependent amino acid transporter 0.0161 0.1519 0.1519
Brugia malayi Muscleblind-like protein 0.0151 0.1411 0.1411
Toxoplasma gondii hypothetical protein 0.0161 0.1519 1
Onchocerca volvulus 0.0947 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0161 0.1519 0.1519
Loa Loa (eye worm) hypothetical protein 0.0161 0.1519 0.1519
Brugia malayi Abnormal catecholamine distribution protein 1 0.0382 0.3907 0.3907
Brugia malayi hypothetical protein 0.0036 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0041 0.0229 0.0229
Brugia malayi hypothetical protein 0.0161 0.1519 0.1519
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0261 0.2596 0.2596
Leishmania major C-8 sterol isomerase-like protein 0.0737 0.773 1
Schistosoma mansoni lipoxygenase 0.0083 0.0683 0.0683
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0071 0.0555 0.0555
Brugia malayi PHD-finger family protein 0.0025 0.0057 0.0057
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.001 0.001
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.163 0.5987
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.2596 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.0151 0.1411 0.1411
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.1729 0.64
Loa Loa (eye worm) hypothetical protein 0.0947 1 1
Schistosoma mansoni lipoxygenase 0.0119 0.1069 0.1069
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0161 0.1519 0.1519
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.2596 1
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.2359 0.2359
Schistosoma mansoni bromodomain containing protein 0.0064 0.0474 0.0474
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.163 0.5987
Loa Loa (eye worm) norepinephrine transporter 0.0947 1 1
Echinococcus granulosus synaptic vesicular amine transporter 0.0382 0.3907 0.3907
Brugia malayi Bromodomain containing protein 0.0039 0.0202 0.0202
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.1729 0.64
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0161 0.1519 0.1519
Brugia malayi Bromodomain containing protein 0.0076 0.0602 0.0602
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0145 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0031 0.0031
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0161 0.1519 0.1519
Echinococcus multilocularis serotonin transporter 0.0947 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0161 0.1519 0.1519
Schistosoma mansoni sodium/chloride dependent transporter 0.0947 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0031 0.0031
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.2596 1
Schistosoma mansoni vesicular amine transporter 0.0382 0.3907 0.3907
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.163 0.5987
Loa Loa (eye worm) hypothetical protein 0.0043 0.025 0.025
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.0063 0.0063
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0031 0.0031
Onchocerca volvulus 0.0049 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0034 0.0156 0.0156
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0261 0.2596 0.2596
Loa Loa (eye worm) hypothetical protein 0.0947 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0161 0.1519 1
Echinococcus multilocularis synaptic vesicular amine transporter 0.0382 0.3907 0.3907
Echinococcus granulosus serotonin transporter 0.0947 1 1
Plasmodium vivax hypothetical protein, conserved 0.0161 0.1519 1
Toxoplasma gondii hypothetical protein 0.0161 0.1519 1
Plasmodium falciparum transporter, putative 0.0161 0.1519 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0176 0.0176
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0161 0.1519 0.1519
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0377 0.3846 0.3846
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0161 0.1519 0.1519
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0161 0.1519 0.1519
Schistosoma mansoni hypothetical protein 0.0034 0.0156 0.0156
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0328 0.0328
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.0063 0.0063
Echinococcus granulosus sodium and chloride dependent glycine 0.0161 0.1519 0.1519
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0161 0.1519 0.1519
Schistosoma mansoni hypothetical protein 0.0021 0.001 0.001
Echinococcus multilocularis sodium and chloride dependent glycine 0.0161 0.1519 0.1519
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0161 0.1519 0.1519
Schistosoma mansoni inositol monophosphatase 0.0037 0.0187 0.0187
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0187 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0177 0.0177
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.031 0.031
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0161 0.1519 0.5
Echinococcus multilocularis muscleblind protein 0.0151 0.1411 0.1411
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0161 0.1519 0.1519
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0161 0.1519 0.1519
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0161 0.1519 0.1519
Loa Loa (eye worm) hypothetical protein 0.0947 1 1

Activities

Activity type Activity value Assay description Source Reference
DNA fragmentation (functional) 0 Effect of the compound on apoptotic DNA fragmentation to differentitiate HCT 116 cells, at a concentration of 3.6 microM, 1.0 ug/ml was determined; - = Non potent ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.