Detailed information for compound 414821

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.679 | Formula: C18H40O3Si2
  • H donors: 0 H acceptors: 0 LogP: 5.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([Si](OC[C@H]1OCCC[C@H]1O[Si](C(C)(C)C)(C)C)(C)C)(C)C
  • InChi: 1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-16-15(12-11-13-19-16)21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3/t15-,16-/m1/s1
  • InChiKey: NDSRMVAGHSBOEM-HZPDHXFCSA-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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3772 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0045 0.0045
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0075 0.0805 0.1503
Schistosoma mansoni hypothetical protein 0.018 0.2196 0.4098
Echinococcus multilocularis dnaJ subfamily B 0.0417 0.5359 0.5359
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0075 0.0805 0.1946
Loa Loa (eye worm) hypothetical protein 0.0154 0.1854 0.4636
Schistosoma mansoni hypothetical protein 0.0049 0.0456 0.085
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0118 0.1321
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0456 0.1474
Echinococcus granulosus voltage dependent calcium channel subunit 0.0348 0.4439 0.4439
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.2645 0.6628
Loa Loa (eye worm) hypothetical protein 0.0032 0.0222 0.0526
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0013 0.0013
Echinococcus granulosus lysine specific demethylase 5A 0.0063 0.0642 0.0642
Brugia malayi hypothetical protein 0.0241 0.3014 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0222 0.0414
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0222 0.0414
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0013 0.0025
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0089 0.0621
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0075 0.0805 0.0805
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0042 0.0097
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0075 0.0805 0.0805
Schistosoma mansoni serine-rich repeat protein 0.018 0.2196 0.4098
Echinococcus granulosus snurportin 1 0.0314 0.3983 0.3983
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0222 0.0222
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0642 0.1198
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0642 0.1583
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0093 0.0093
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0454 0.5561
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0191 0.0191
Echinococcus granulosus phd:f box containing protein 0.0016 0.0013 0.0013
Schistosoma mansoni survival motor neuron protein 0.0049 0.0456 0.085
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3772 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0013 0.0013
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0454 0.5561
Loa Loa (eye worm) hypothetical protein 0.0075 0.0805 0.1995
Leishmania major importin beta-1 subunit, putative 0.0024 0.0118 0.1321
Brugia malayi hypothetical protein 0.0049 0.0454 0.1468
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0118 0.008
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0454 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0334 0.425 0.7931
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0454 0.5561
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0075 0.0805 0.1946
Echinococcus granulosus dnaJ subfamily B 0.0417 0.5359 0.5359
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0454 0.3632
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0089 0.1709
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3772 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0075 0.0805 0.0805
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0118 0.008
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.174 0.5
Schistosoma mansoni cpg binding protein 0.0059 0.0587 0.1096
Echinococcus multilocularis cpg binding protein 0.0059 0.0587 0.0587
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0222 0.1722
Schistosoma mansoni cpg binding protein 0.0059 0.0587 0.1096
Brugia malayi jmjC domain containing protein 0.006 0.0599 0.1953
Schistosoma mansoni cpg binding protein 0.0056 0.0545 0.1016
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0075 0.0805 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3772 1
Brugia malayi Cache domain containing protein 0.0154 0.1854 0.6134
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0089 0.1709
Brugia malayi Pre-SET motif family protein 0.0032 0.0222 0.0696
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.0805 1
Onchocerca volvulus 0.0049 0.0456 0.083
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0089 0.0251
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0222 0.0222
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0192 0.1474
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0118 0.008
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0089 0.019
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0222 0.0222
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0075 0.0805 0.1946
Schistosoma mansoni ran 0.0022 0.0089 0.0165
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3772 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0075 0.0805 0.0805
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.0805 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0192 0.4058
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3772 1
Plasmodium falciparum importin beta, putative 0.0029 0.0192 0.4058
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0222 0.0414
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0013 0.0013
Brugia malayi jmjC domain containing protein 0.0063 0.0642 0.2095
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0013 0.0013
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0642 0.1198
Giardia lamblia Fructose-bisphosphate aldolase 0.0298 0.3772 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0056 0.0056
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.0599 0.0599
Echinococcus granulosus survival motor neuron protein 1 0.0241 0.3014 0.3014
Toxoplasma gondii histone lysine methyltransferase SET1 0.0107 0.1226 1
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0045 0.0081
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.0599 0.0599
Echinococcus granulosus cpg binding protein 0.0059 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0241 0.3014 0.7558
Brugia malayi Importin beta-1 subunit 0.0029 0.0192 0.0596
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0013 0.0025
Treponema pallidum fructose-bisphosphate aldolase 0.0298 0.3772 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0056 0.0545 0.1339
Schistosoma mansoni hypothetical protein 0.0022 0.0093 0.0174
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0454 1
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0013 0.0025
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0192 0.0192
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3772 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.174 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.0599 0.0599
Entamoeba histolytica hypothetical protein 0.0024 0.0118 0.008
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0013 0.0013
Schistosoma mansoni mixed-lineage leukemia protein mll 0.012 0.1394 0.2602
Onchocerca volvulus 0.0056 0.0545 0.1147
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0045 0.0045
Brugia malayi Pre-SET motif family protein 0.0213 0.2645 0.877
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0075 0.0805 0.1503
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0222 0.0414
Echinococcus multilocularis snurportin 1 0.0314 0.3983 0.3983
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3772 1
Leishmania major hypothetical protein, conserved 0.0049 0.0454 0.5561
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.0805 1
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0049 0.0454 0.1109
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0805 0.1946
Schistosoma mansoni ran 0.0022 0.0089 0.0165
Schistosoma mansoni importin beta-1 0.0029 0.0192 0.0358
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0013 0.0025
Echinococcus multilocularis ubiquitin specific protease 41 0.0075 0.0805 0.0805
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0013 0.0013
Echinococcus granulosus importin subunit beta 1 0.0029 0.0192 0.0192
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0168 0.2043 0.3813
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0089 0.0089
Onchocerca volvulus 0.0243 0.3035 1
Brugia malayi hypothetical protein 0.0032 0.0222 0.0696
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0348 0.4439 0.4439
Echinococcus granulosus ubiquitin specific protease 41 0.0075 0.0805 0.0805
Schistosoma mansoni hypothetical protein 0.0417 0.5359 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0765 1 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0075 0.0805 0.1946
Leishmania major GTP-binding protein, putative 0.0022 0.0089 0.095
Schistosoma mansoni hypothetical protein 0.0314 0.3983 0.7433
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0089 0.0089
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0089 0.095
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0089 0.095
Brugia malayi CXXC zinc finger family protein 0.0056 0.0545 0.1771
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0093 0.0093
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.174 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0241 0.3014 0.3014
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0454 1
Brugia malayi RNA, U transporter 1 0.0084 0.0914 0.3004
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0013 0.0025
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 0.3983 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.3772 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0192 0.2257
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0192 0.2257
Schistosoma mansoni jumonji domain containing protein 0.006 0.0599 0.1118
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0029 0.0192 0.045
Trichomonas vaginalis set domain proteins, putative 0.0243 0.3035 0.8
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0089 0.095
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0075 0.0805 0.2639
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.3772 1
Plasmodium vivax SET domain protein, putative 0.0032 0.0222 0.4742

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) > 100 uM Antiproliferative activity against human A2780 cells after 48 hrs by SRB assay ChEMBL. 16950618
GI50 (functional) > 100 uM Antiproliferative activity against human SW1573 cells after 48 hrs by SRB assay ChEMBL. 16950618
GI50 (functional) > 100 uM Antiproliferative activity against human WiDr cells after 48 hrs by SRB assay ChEMBL. 16950618
GI50 (functional) > 100 uM Antiproliferative activity against human A2780 cells after 48 hrs by SRB assay ChEMBL. 16950618
GI50 (functional) > 100 uM Antiproliferative activity against human SW1573 cells after 48 hrs by SRB assay ChEMBL. 16950618
GI50 (functional) > 100 uM Antiproliferative activity against human WiDr cells after 48 hrs by SRB assay ChEMBL. 16950618

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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