Detailed information for compound 1656460

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 671.273 | Formula: C34H51ClN8O4
  • H donors: 6 H acceptors: 4 LogP: 0.85 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCNCCCNCCCN1C(=O)c2c(C1=O)cc(cc2)c1ccc2c(c1)C(=O)N(C2=O)CCCNCCCNCCCN.Cl
  • InChi: 1S/C34H50N8O4.ClH/c35-11-1-13-37-15-3-17-39-19-5-21-41-31(43)27-9-7-25(23-29(27)33(41)45)26-8-10-28-30(24-26)34(46)42(32(28)44)22-6-20-40-18-4-16-38-14-2-12-36;/h7-10,23-24,37-40H,1-6,11-22,35-36H2;1H
  • InChiKey: OYKDYHLAABHCOU-UHFFFAOYSA-N  


Substructure search Similarity search

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
Onchocerca volvulus 0.0018 0.0025 1
Brugia malayi Protein kinase domain containing protein 0.0018 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0059 0.0319 0.0319
Plasmodium falciparum protein serine/threonine kinase-1 0.0075 0.0436 0.5
Echinococcus granulosus defective proboscis extension response 0.0059 0.0319 0.0319
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0075 0.0436 0.5
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.1105 0.7896 0.7896
Leishmania major tyrosine phosphatase isoform, putative 0.0139 0.0897 1
Entamoeba histolytica phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase, putative 0.0139 0.0897 0.5
Echinococcus multilocularis dual specificity protein kinase clk2 0.0075 0.0436 0.0436
Schistosoma mansoni atypical protein kinase C 0.0018 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.125 0.8945 0.8945
Loa Loa (eye worm) hypothetical protein 0.0059 0.0319 0.0319
Echinococcus multilocularis 0.0068 0.0386 0.0386
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0075 0.0436 0.0436
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0018 0.0025 0.0025
Giardia lamblia Kinase, CMGC CLK 0.0075 0.0436 0.5
Echinococcus granulosus dual specificity protein kinase clk2 0.0075 0.0436 0.0436
Echinococcus granulosus roundabout 2 0.0074 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0068 0.0386 0.0386
Echinococcus multilocularis cyclin g associated kinase 0.1396 1 1
Brugia malayi Fibronectin type III domain containing protein 0.0059 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0059 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0059 0.0319 0.0319
Echinococcus granulosus phosphatase and tensin 0.0139 0.0897 0.0897
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0139 0.0897 1
Trichomonas vaginalis pten, drome, putative 0.0139 0.0897 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0074 0.0426 0.0426
Schistosoma mansoni serine/threonine protein kinase 0.1396 1 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0022 0.005 0.005
Schistosoma mansoni tensin 0.0139 0.0897 0.0897
Loa Loa (eye worm) hypothetical protein 0.0074 0.0428 0.0428
Entamoeba histolytica hypothetical protein 0.0139 0.0897 0.5
Schistosoma mansoni nephrin 0.0066 0.0371 0.0371
Brugia malayi Immunoglobulin I-set domain containing protein 0.0059 0.0319 0.0319
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0067 0.0376 0.0376
Echinococcus granulosus hypothetical protein 0.0068 0.0386 0.0386
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0075 0.0436 0.5
Schistosoma mansoni vesicular amine transporter 0.0059 0.0319 0.0319
Brugia malayi daf-18 protein 0.0139 0.0897 0.0897
Loa Loa (eye worm) hypothetical protein 0.0139 0.0897 0.0897
Echinococcus granulosus neuroglian 0.0066 0.0371 0.0371
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0075 0.0436 0.5
Echinococcus granulosus twitchin 0.0073 0.0422 0.0422
Plasmodium vivax formin 2, putative 0.0139 0.0897 1
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0139 0.0897 1
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.0436 0.0436
Loa Loa (eye worm) NAK/GAK protein kinase 0.1396 1 1
Echinococcus multilocularis Immunoglobulin 0.0059 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0067 0.0376 0.0376
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0139 0.0897 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0074 0.0426 0.0426
Schistosoma mansoni pten 0.0139 0.0897 0.0897
Echinococcus multilocularis phosphatase and tensin 0.0139 0.0897 0.0897
Echinococcus multilocularis neuroglian 0.0066 0.0371 0.0371
Schistosoma mansoni tyrosine kinase 0.0022 0.005 0.005
Schistosoma mansoni cell adhesion molecule 0.0067 0.0376 0.0376
Echinococcus multilocularis roundabout 2 0.0074 0.0428 0.0428
Echinococcus granulosus Immunoglobulin 0.0059 0.0319 0.0319
Trypanosoma cruzi tyrosine phosphatase, putative 0.0139 0.0897 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0059 0.0319 0.0319
Brugia malayi hypothetical protein 0.0059 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0059 0.0319 0.0319
Brugia malayi Protein kinase domain containing protein 0.0075 0.0436 0.0436
Echinococcus multilocularis Immunoglobulin 0.0059 0.0319 0.0319
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0018 0.0025 0.0025
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.0436 0.0436
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0059 0.0319 0.0319
Echinococcus granulosus cyclin g associated kinase 0.1396 1 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0059 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0074 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0059 0.0319 0.0319

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 50 uM Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay ChEMBL. 22428910

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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