Detailed information for compound 1614700

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.259 | Formula: C19H31BO2
  • H donors: 0 H acceptors: 0 LogP: 6.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
  • InChi: 1S/C19H31BO2/c1-6-7-8-9-10-11-16-12-14-17(15-13-16)20-21-18(2,3)19(4,5)22-20/h12-15H,6-11H2,1-5H3
  • InChiKey: UBPUCMMVBXVCCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lipase, endothelial Starlite/ChEMBL References
Homo sapiens lipoprotein lipase Starlite/ChEMBL References

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
Plasmodium falciparum LCCL domain-containing protein 0.0048 0.2548 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2982 0.6709
Schistosoma mansoni tar DNA-binding protein 0.007 0.4413 1
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.1193 0.1193
Echinococcus multilocularis lamin 0.0031 0.1193 0.2594
Schistosoma mansoni lamin 0.0031 0.1193 0.2594
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2982 0.6709
Echinococcus granulosus intermediate filament protein 0.0031 0.1193 0.2594
Echinococcus multilocularis Polycystic kidney disease protein 0.0048 0.2548 0.5711
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.2548 0.5711
Echinococcus granulosus lamin 0.0031 0.1193 0.2594
Loa Loa (eye worm) hypothetical protein 0.0031 0.1193 0.1193
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0065 0.0065
Onchocerca volvulus 0.0048 0.2548 0.157
Brugia malayi hypothetical protein 0.0136 0.9821 0.9821
Schistosoma mansoni rab6-interacting 0.0048 0.2548 0.5711
Schistosoma mansoni tar DNA-binding protein 0.007 0.4413 1
Brugia malayi hypothetical protein 0.0048 0.2548 0.2548
Echinococcus multilocularis RUN 0.0048 0.2548 0.5711
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.2548 0.5711
Schistosoma mansoni hypothetical protein 0.0038 0.1738 0.3848
Loa Loa (eye worm) hypothetical protein 0.0048 0.2548 0.2548
Schistosoma mansoni rab6-interacting 0.0048 0.2548 0.5711
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.318 0.318
Onchocerca volvulus Huntingtin homolog 0.0136 0.9821 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.318 0.318
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0065 0.0065
Onchocerca volvulus 0.0048 0.2548 0.157
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2982 0.6709
Schistosoma mansoni lamin 0.0031 0.1193 0.2594
Brugia malayi RNA recognition motif domain containing protein 0.007 0.4413 0.4413
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.1193 0.1193
Plasmodium vivax multidomain scavenger receptor, putative 0.0048 0.2548 0.5
Brugia malayi hypothetical protein 0.0048 0.2548 0.2548
Echinococcus multilocularis tar DNA binding protein 0.007 0.4413 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.4413 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2982 0.6709
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0065 0.0065
Brugia malayi TAR-binding protein 0.007 0.4413 0.4413
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.318 0.318
Schistosoma mansoni lipoxygenase 0.0048 0.2548 0.5711
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.2982 0.2982
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.2982 0.2982
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.2548 0.5711
Schistosoma mansoni hypothetical protein 0.0048 0.2548 0.5711
Loa Loa (eye worm) hypothetical protein 0.0031 0.1146 0.1146
Echinococcus granulosus Polycystic kidney disease protein 0.0048 0.2548 0.5711
Schistosoma mansoni tar DNA-binding protein 0.007 0.4413 1
Onchocerca volvulus Huntingtin homolog 0.0136 0.9821 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1738 0.1738
Loa Loa (eye worm) RNA binding protein 0.007 0.4413 0.4413
Brugia malayi RNA binding protein 0.007 0.4413 0.4413
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.4413 0.4413
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.2548 0.5711
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.318 0.318
Loa Loa (eye worm) hypothetical protein 0.0136 0.9821 0.9821
Loa Loa (eye worm) TAR-binding protein 0.007 0.4413 0.4413
Loa Loa (eye worm) hypothetical protein 0.0017 0.0065 0.0065
Brugia malayi intermediate filament protein 0.0031 0.1193 0.1193
Loa Loa (eye worm) intermediate filament protein 0.0031 0.1193 0.1193
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1738 0.1738
Echinococcus granulosus lamin dm0 0.0031 0.1193 0.2594
Echinococcus multilocularis lamin dm0 0.0031 0.1193 0.2594
Loa Loa (eye worm) hypothetical protein 0.0048 0.2548 0.2548
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2982 0.6709
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2982 0.6709
Schistosoma mansoni loxhd1 0.0048 0.2548 0.5711
Echinococcus granulosus tar DNA binding protein 0.007 0.4413 1
Brugia malayi Doublecortin family protein 0.0048 0.2548 0.2548
Loa Loa (eye worm) doublecortin family protein 0.0048 0.2548 0.2548
Loa Loa (eye worm) hypothetical protein 0.0136 0.9821 0.9821
Schistosoma mansoni tar DNA-binding protein 0.007 0.4413 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2982 0.6709
Schistosoma mansoni polycystin 1-related 0.0048 0.2548 0.5711
Echinococcus multilocularis musashi 0.0031 0.1193 0.2594
Schistosoma mansoni intermediate filament proteins 0.0031 0.1193 0.2594
Echinococcus granulosus RUN 0.0048 0.2548 0.5711

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.1 uM Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substrate addition by micelle assay ChEMBL. 22225633
IC50 (binding) = 3.5 uM Inhibition of human endothelial lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay ChEMBL. 22225633
IC50 (binding) = 19 uM Inhibition of human lipoprotein lipase expressed in HEK293 cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substrate addition by micelle assay ChEMBL. 22225633
IC50 (binding) = 55 uM Inhibition of human lipoprotein lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay ChEMBL. 22225633

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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