Detailed information for compound 1624913

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.308 | Formula: C20H23Cl2NO3
  • H donors: 0 H acceptors: 1 LogP: 4.77 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCN(C(=O)CCc2ccc(c(c2)Cl)Cl)C)ccc1OC
  • InChi: 1S/C20H23Cl2NO3/c1-23(11-10-15-5-8-18(25-2)19(13-15)26-3)20(24)9-6-14-4-7-16(21)17(22)12-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3
  • InChiKey: DCEAVJCLOUAHCY-UHFFFAOYSA-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
Homo sapiens cyclin-dependent kinase 8 Starlite/ChEMBL No references
Homo sapiens CDC-like kinase 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K02208 cyclin-dependent kinase 8/11, putative Get druggable targets OG5_129229 All targets in OG5_129229
Trypanosoma congolense kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum Serine/threonine-protein kinase Doa, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) gastrulation defective protein 1 Get druggable targets OG5_129229 All targets in OG5_129229
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis cyclin dependent kinase 19 Get druggable targets OG5_129229 All targets in OG5_129229
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) CMGC/CDK/CDK8 protein kinase Get druggable targets OG5_129229 All targets in OG5_129229
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129229 All targets in OG5_129229
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus cyclin dependent kinase 19 Get druggable targets OG5_129229 All targets in OG5_129229
Candida albicans Cyclin-dependent serine/threonin protein kinase Get druggable targets OG5_129229 All targets in OG5_129229
Neospora caninum hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Cyclin-dependent serine/threonin protein kinase Get druggable targets OG5_129229 All targets in OG5_129229
Plasmodium falciparum protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129229 All targets in OG5_129229
Trypanosoma brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Theileria parva serine/threonine protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990

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
Brugia malayi Matrixin family protein 0.0614 0.22 0.3434
Onchocerca volvulus Matrilysin homolog 0.1362 0.5804 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0748 0.2845 0.4444
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0748 0.2845 0.5
Loa Loa (eye worm) hypothetical protein 0.0614 0.22 0.344
Schistosoma mansoni hypothetical protein 0.0871 0.3437 1
Mycobacterium ulcerans hydrolase 0.0748 0.2845 0.5
Onchocerca volvulus 0.0871 0.3437 0.3431
Loa Loa (eye worm) hypothetical protein 0.0614 0.22 0.344
Loa Loa (eye worm) matrixin family protein 0.1485 0.6396 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0748 0.2845 0.5
Loa Loa (eye worm) hypothetical protein 0.0614 0.22 0.344
Onchocerca volvulus Matrix metalloproteinase homolog 0.1362 0.5804 1
Loa Loa (eye worm) matrixin family protein 0.1362 0.5804 0.9075
Loa Loa (eye worm) hypothetical protein 0.0748 0.2845 0.4448
Loa Loa (eye worm) matrix metalloproteinase 0.0614 0.22 0.344
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.2232 1 1
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0614 0.22 0.6396
Brugia malayi Hemopexin family protein 0.0871 0.3437 0.537
Brugia malayi Matrixin family protein 0.0614 0.22 0.3434
Brugia malayi Matrixin family protein 0.0614 0.22 0.3434
Loa Loa (eye worm) CMGC/CDK/CDK8 protein kinase 0.0159 0.0005 0.0008
Brugia malayi Matrixin family protein 0.0614 0.22 0.3434
Brugia malayi Matrixin family protein 0.1485 0.6396 1

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8 ChEMBL. No reference
Ki (functional) = 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4 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

Bibliographic References

No literature references available for this target.

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