Detailed information for compound 1506689

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 502.591 | Formula: C23H43IN2Si
  • H donors: 0 H acceptors: 0 LogP: 9.52 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCC#CC[n+]1ccn(c1)CCCCCCCCC[Si](C)(C)C.[I-]
  • InChi: 1S/C23H43N2Si.HI/c1-5-6-7-8-12-15-18-24-20-21-25(23-24)19-16-13-10-9-11-14-17-22-26(2,3)4;/h20-21,23H,5-11,13-14,16-19,22H2,1-4H3;1H/q+1;/p-1
  • InChiKey: AKXMEJNPRJATBV-UHFFFAOYSA-M  


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
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0014 0.0023 0.2302
Echinococcus granulosus roundabout 2 0.0018 0.006 0.3462
Schistosoma mansoni cell adhesion molecule 0.0024 0.0136 1
Echinococcus multilocularis roundabout 2 0.0018 0.006 0.2459
Echinococcus granulosus neuroglian 0.0018 0.006 0.3462
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0014 0.0023 0.1331
Loa Loa (eye worm) hypothetical protein 0.0018 0.006 0.5988
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0112 0.118 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0023 0.2302
Loa Loa (eye worm) hypothetical protein 0.0016 0.0036 0.361
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0018 0.006 0.3462
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0015 0.0027 0.1571
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0023 0.2302
Schistosoma mansoni nephrin 0.0018 0.006 0.3238
Chlamydia trachomatis transglycolase/transpeptidase 0.0112 0.118 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.006 0.4789
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0018 0.006 0.2459
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0472 0.5464 0.4857
Brugia malayi Fibronectin type III domain containing protein 0.0021 0.0099 1
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0381 0.4387 0.7485
Schistosoma mansoni cell adhesion molecule 0.0018 0.006 0.3238
Echinococcus granulosus contactin 0.0018 0.006 0.3462
Onchocerca volvulus 0.0014 0.0023 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0015 0.0027 0.0276
Loa Loa (eye worm) hypothetical protein 0.0021 0.0099 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.004 0.2237
Onchocerca volvulus 0.0014 0.0023 0.5
Echinococcus granulosus nephrin 0.0014 0.0023 0.1331
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0024 0.2379
Brugia malayi hypothetical protein 0.0021 0.0099 1
Schistosoma mansoni neuroglian 0.0018 0.006 0.3238
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0023 0.2302
Echinococcus multilocularis neuroglian 0.0018 0.006 0.2459
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0472 0.5464 1
Chlamydia trachomatis transglycolase/transpeptidase 0.0112 0.118 0.5
Onchocerca volvulus 0.0014 0.0023 0.5
Loa Loa (eye worm) CAMK protein kinase 0.0014 0.0023 0.2302
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.006 0.4789
Schistosoma mansoni cell adhesion molecule 0.0018 0.006 0.3238
Loa Loa (eye worm) hypothetical protein 0.0014 0.0023 0.2302
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0023 0.2302
Loa Loa (eye worm) hypothetical protein 0.0016 0.0036 0.361
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.0099 1
Echinococcus multilocularis roundabout 2 0.0018 0.006 0.2459
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0015 0.0024 0.1375
Loa Loa (eye worm) hypothetical protein 0.0021 0.0099 1
Schistosoma mansoni ephrin receptor 0.0015 0.0027 0.0364
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0016 0.004 0.4024
Echinococcus granulosus roundabout 2 0.0027 0.0172 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0024 0.01
Echinococcus granulosus titin 0.0014 0.0023 0.1331
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0015 0.0024 0.0051
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0018 0.006 0.5988
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0018 0.006 0.2459
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0472 0.5464 0.4857
Schistosoma mansoni nephrin 0.0024 0.0135 0.9933
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0018 0.006 0.2459
Loa Loa (eye worm) hypothetical protein 0.0021 0.0099 1
Loa Loa (eye worm) projectin 0.0014 0.0023 0.2302
Echinococcus granulosus roundabout 2 0.0018 0.006 0.3462
Echinococcus multilocularis roundabout 2 0.0027 0.0172 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.006 0.4789
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0018 0.006 0.3238
Echinococcus granulosus titin 0.0014 0.0023 0.1331
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0018 0.006 0.5988
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0018 0.006 0.2459

Activities

No activities found for this compound.

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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