Detailed information for compound 227934

Basic information

Technical information
  • TDR Targets ID: 227934
  • Name: 2-[3-[tri(propan-2-yl)silyloxymethyl]phenyl]- 1H-benzimidazole-4-carboxamide
  • MW: 423.623 | Formula: C24H33N3O2Si
  • H donors: 2 H acceptors: 2 LogP: 5.99 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cccc2c1nc([nH]2)c1cccc(c1)CO[Si](C(C)C)(C(C)C)C(C)C
  • InChi: 1S/C24H33N3O2Si/c1-15(2)30(16(3)4,17(5)6)29-14-18-9-7-10-19(13-18)24-26-21-12-8-11-20(23(25)28)22(21)27-24/h7-13,15-17H,14H2,1-6H3,(H2,25,28)(H,26,27)
  • InChiKey: HWOCLBWDSWKUBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(triisopropylsilyloxymethyl)phenyl]-1H-benzimidazole-4-carboxamide

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 0.0038 0.338 0.431
Echinococcus granulosus protein kinase c epsilon type 0.0057 0.6293 1
Trichomonas vaginalis AGC family protein kinase 0.0016 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0038 0.3442 0.4157
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.5693 0.3432
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0025 0.1503 0.1816
Entamoeba histolytica PH domain containing protein kinase, putative 0.0029 0.2038 1
Echinococcus granulosus protein kinase C gamma type 0.004 0.3668 0.4795
Brugia malayi C1-like domain containing protein 0.0038 0.3442 0.5469
Loa Loa (eye worm) hypothetical protein 0.0025 0.1356 0.1637
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.6293 0.4348
Trypanosoma brucei RNA helicase, putative 0.0082 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.6053 0.7311
Loa Loa (eye worm) hypothetical protein 0.0037 0.3275 0.3955
Echinococcus granulosus protein kinase c iota type 0.0045 0.441 0.6265
Echinococcus granulosus Protein kinase C brain isozyme 0.0053 0.5693 0.8809
Brugia malayi protein kinase C3,putative 0.003 0.2245 0.3567
Trichomonas vaginalis AGC family protein kinase 0.0016 0 0.5
Echinococcus multilocularis serine threonine protein kinase 0.004 0.3668 0.4795
Echinococcus multilocularis serine:threonine protein kinase N2 0.0042 0.4077 0.5606
Schistosoma mansoni atypical protein kinase C 0.0046 0.4594 0.1757
Brugia malayi Protein kinase c protein 2 0.0039 0.3528 0.5606
Trichomonas vaginalis AGC family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.1356 0.1637
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0053 0.5693 0.8809
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0057 0.6293 0.7601
Echinococcus multilocularis protein kinase c epsilon type 0.0057 0.6293 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.338 0.4082
Loa Loa (eye worm) hypothetical protein 0.0024 0.125 0.151
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0032 0.2429 0.2934
Brugia malayi protein kinase C II. 0.0057 0.6293 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0025 0.1417 0.1712
Echinococcus multilocularis protein kinase c iota type 0.0045 0.441 0.6265
Onchocerca volvulus 0.0056 0.6053 1
Loa Loa (eye worm) hypothetical protein 0.007 0.828 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.6053 0.7311
Loa Loa (eye worm) hypothetical protein 0.0039 0.3505 0.4233
Loa Loa (eye worm) hypothetical protein 0.0069 0.8078 0.9756
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0038 0.3442 0.5469
Onchocerca volvulus 0.0039 0.3505 0.4576
Trichomonas vaginalis AGC family protein kinase 0.0016 0 0.5
Echinococcus granulosus serine:threonine protein kinase N2 0.0028 0.1913 0.1313
Trichomonas vaginalis AGC family protein kinase 0.0016 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.6053 0.7311
Trichomonas vaginalis AGC family protein kinase 0.0016 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.5693 0.3432

Activities

Activity type Activity value Assay description Source Reference
ND (binding) 0 nM In vitro inhibition against human full length PARP protein; NT means not tested ChEMBL. 11063605

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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