Detailed information for compound 72023

Basic information

Technical information
  • TDR Targets ID: 72023
  • Name: 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-h ydroxypropan-2-yl)naphthalen-1-yl]benzamide
  • MW: 482.203 | Formula: C20H11Cl2F6NO2
  • H donors: 2 H acceptors: 2 LogP: 7.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(Cl)cc(c1)C(=O)Nc1c2ccccc2ccc1C(C(F)(F)F)(C(F)(F)F)O
  • InChi: 1S/C20H11Cl2F6NO2/c21-12-7-11(8-13(22)9-12)17(30)29-16-14-4-2-1-3-10(14)5-6-15(16)18(31,19(23,24)25)20(26,27)28/h1-9,31H,(H,29,30)
  • InChiKey: CMSDXPRWNWLWKN-UHFFFAOYSA-N  

Network

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Synonyms

  • 3,5-dichloro-N-[2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1-naphthyl]benzamide
  • 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)naphthalen-1-yl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium inwardly-rectifying channel, subfamily J, member 11 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
Loa Loa (eye worm) hypothetical protein 0.0661 0.1097 0.1841
Onchocerca volvulus Matrix metalloproteinase homolog 0.1466 0.514 0.9188
Echinococcus multilocularis epidermal growth factor receptor 0.0502 0.0296 0.0038
Schistosoma mansoni tyrosine kinase 0.0496 0.027 0.0033
Loa Loa (eye worm) matrix metalloproteinase 0.0661 0.1097 0.1841
Echinococcus granulosus epidermal growth factor receptor 0.0934 0.2466 0.2266
Mycobacterium ulcerans hydrolase 0.0805 0.182 0.5
Schistosoma mansoni tyrosine kinase 0.0496 0.027 0.0033
Echinococcus multilocularis disintegrin and metalloproteinase 0.1148 0.3543 0.3371
Loa Loa (eye worm) hypothetical protein 0.0732 0.1454 0.2441
Loa Loa (eye worm) hypothetical protein 0.0661 0.1097 0.1841
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.2434 1 1
Brugia malayi Hemopexin family protein 0.0897 0.2279 0.2434
Mycobacterium leprae PROBABLE HYDROLASE 0.0805 0.182 0.5
Schistosoma mansoni tyrosine kinase 0.0502 0.0296 0.0114
Schistosoma mansoni hypothetical protein 0.0897 0.2279 0.6153
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0502 0.0296 0.0038
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0639 0.0985 0.221
Loa Loa (eye worm) matrixin family protein 0.1629 0.5957 1
Loa Loa (eye worm) hypothetical protein 0.0805 0.182 0.3056
Brugia malayi hypothetical protein 0.0715 0.1366 0.0554
Loa Loa (eye worm) matrixin family protein 0.1466 0.514 0.8629
Onchocerca volvulus Matrilysin homolog 0.1538 0.5497 1
Echinococcus granulosus disintegrin and metalloproteinase 0.1148 0.3543 0.3371
Brugia malayi Matrixin family protein 0.1629 0.5957 1
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.1126 0.343 0.3255
Loa Loa (eye worm) TK/EGFR protein kinase 0.0934 0.2466 0.414
Schistosoma mansoni dihydroceramide desaturase 0.1148 0.3543 1
Echinococcus granulosus epidermal growth factor receptor 0.0502 0.0296 0.0038
Loa Loa (eye worm) disintegrin family protein 0.0783 0.1706 0.2865
Schistosoma mansoni tyrosine kinase 0.0934 0.2466 0.6722
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0805 0.182 0.5
Loa Loa (eye worm) hypothetical protein 0.1395 0.478 0.8025
Echinococcus multilocularis adam 0.0715 0.1366 0.1136
Brugia malayi Furin-like cysteine rich region family protein 0.0934 0.2466 0.2818
Echinococcus granulosus adam 17 protease 0.1004 0.2821 0.263
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0805 0.182 0.1489
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.1126 0.343 0.3255
Echinococcus granulosus adam 0.0715 0.1366 0.1136
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0715 0.1366 0.337
Schistosoma mansoni tyrosine kinase 0.0496 0.027 0.0033
Echinococcus multilocularis adam 17 protease 0.0639 0.0985 0.0745
Onchocerca volvulus 0.0897 0.2279 0.2688
Loa Loa (eye worm) reprolysin 0.0494 0.0259 0.0435
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0732 0.1454 0.364
Brugia malayi Disintegrin family protein 0.1148 0.3543 0.5033
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0794 0.1765 0.4587
Schistosoma mansoni tyrosine kinase 0.0502 0.0296 0.0114
Echinococcus multilocularis epidermal growth factor receptor 0.0934 0.2466 0.2266

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.306 uM Potassium channel opening activity in vitro using LtK cells transfected with Kir6.2/SUR2B exon 17 ChEMBL. 12729655
EC50 (binding) = 0.306 uM Potassium channel opening activity in vitro using LtK cells transfected with Kir6.2/SUR2B exon 17 ChEMBL. 12729655

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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