Detailed information for compound 879561

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.931 | Formula: C19H25ClN2O3S
  • H donors: 2 H acceptors: 3 LogP: 4.13 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)c1csc(n1)COc1cccc(c1)Cl)CCCC(O)(C)C
  • InChi: 1S/C19H25ClN2O3S/c1-13(6-5-9-19(2,3)24)21-18(23)16-12-26-17(22-16)11-25-15-8-4-7-14(20)10-15/h4,7-8,10,12-13,24H,5-6,9,11H2,1-3H3,(H,21,23)
  • InChiKey: ZCCNOYNZVNIFJC-UHFFFAOYSA-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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.027 0.027
Loa Loa (eye worm) RNA binding protein 0.0208 0.2638 0.6479
Schistosoma mansoni tar DNA-binding protein 0.0208 0.2638 0.2638
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0077 0.0077
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0168 0.2102 0.2102
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.027 0.027
Echinococcus granulosus geminin 0.036 0.4669 0.4669
Schistosoma mansoni neuropeptide receptor 0.0661 0.8678 0.8678
Plasmodium vivax importin-beta 2, putative 0.003 0.0256 0.2825
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0256 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.027 0.0663
Loa Loa (eye worm) hypothetical protein 0.0051 0.0544 0.1335
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0521 0.125
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0466 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.027 0.3202
Brugia malayi intermediate filament protein 0.0028 0.0231 0.0745
Loa Loa (eye worm) hypothetical protein 0.0013 0.0033 0.0081
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0168 0.2102 0.2102
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0316 0.4072 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0521 0.1684
Echinococcus multilocularis musashi 0.0028 0.0231 0.0231
Plasmodium vivax SET domain protein, putative 0.0031 0.027 0.3202
Loa Loa (eye worm) hypothetical protein 0.0027 0.0224 0.055
Schistosoma mansoni tar DNA-binding protein 0.0208 0.2638 0.2638
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0231 0.0745
Echinococcus granulosus tar DNA binding protein 0.0208 0.2638 0.2638
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0182 0.01
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0077 0.019
Echinococcus granulosus importin subunit beta 1 0.003 0.0256 0.0256
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.027 0.027
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0077 0.025
Schistosoma mansoni importin beta-1 0.003 0.0256 0.0256
Brugia malayi RNA, U transporter 1 0.0084 0.0983 0.3176
Schistosoma mansoni survival motor neuron protein 0.0049 0.0521 0.0521
Loa Loa (eye worm) hypothetical protein 0.0013 0.0033 0.0081
Schistosoma mansoni hypothetical protein 0.0316 0.4072 0.4072
Schistosoma mansoni ran 0.0022 0.0152 0.0152
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0521 0.125
Loa Loa (eye worm) hypothetical protein 0.0028 0.0231 0.0566
Echinococcus multilocularis G protein coupled receptor 139 0.0661 0.8678 0.8678
Echinococcus multilocularis lamin dm0 0.0028 0.0231 0.0231
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0077 0.025
Brugia malayi acetyltransferase, GNAT family protein 0.0168 0.2102 0.679
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0544 0.1756
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0098
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0152 0.0152
Echinococcus granulosus lamin dm0 0.0028 0.0231 0.0231
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0152 0.0373
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0544 0.1756
Onchocerca volvulus 0.0243 0.3101 1
Echinococcus granulosus GPCR family 2 0.0016 0.0077 0.0077
Echinococcus multilocularis tar DNA binding protein 0.0208 0.2638 0.2638
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0256 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0521 1
Plasmodium falciparum importin beta, putative 0.003 0.0256 0.3319
Leishmania major importin beta-1 subunit, putative 0.0024 0.0182 1
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.3096 0.3096
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.027 0.027
Entamoeba histolytica hypothetical protein 0.0024 0.0182 0.0942
Schistosoma mansoni tar DNA-binding protein 0.0208 0.2638 0.2638
Schistosoma mansoni hypothetical protein 0.0049 0.0521 0.0521
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0231 0.0566
Schistosoma mansoni hypothetical protein 0.036 0.4669 0.4669
Echinococcus granulosus histone acetyltransferase KAT2B 0.0163 0.2039 0.2039
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.004 0.004
Brugia malayi RNA recognition motif domain containing protein 0.0208 0.2638 0.8521
Loa Loa (eye worm) hypothetical protein 0.0016 0.0077 0.019
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.027 0.027
Schistosoma mansoni tar DNA-binding protein 0.0208 0.2638 0.2638
Loa Loa (eye worm) hypothetical protein 0.003 0.0256 0.0629
Schistosoma mansoni hypothetical protein 0.0016 0.0077 0.0077
Brugia malayi Importin beta-1 subunit 0.003 0.0256 0.0827
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0152 0.0491
Echinococcus multilocularis importin subunit beta 1 0.003 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0035 0.0328 0.0805
Brugia malayi hypothetical protein 0.0242 0.3096 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.004 0.004
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.027 0.027
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.3096 0.3096
Echinococcus multilocularis geminin 0.036 0.4669 0.4669
Brugia malayi Pre-SET motif family protein 0.0031 0.027 0.0872
Onchocerca volvulus 0.0049 0.0521 0.1681
Schistosoma mansoni hypothetical protein 0.0016 0.0077 0.0077
Loa Loa (eye worm) TAR-binding protein 0.0208 0.2638 0.6479
Onchocerca volvulus 0.0028 0.0231 0.0744
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.027 0.027
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0152 0.0152
Schistosoma mansoni hypothetical protein 0.0016 0.0077 0.0077
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0521 0.0521
Schistosoma mansoni hypothetical protein 0.0016 0.0077 0.0077
Echinococcus multilocularis snurportin 1 0.0316 0.4072 0.4072
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0255 0.0255
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0521 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0077 0.0077
Echinococcus multilocularis neuropeptide receptor 0.0661 0.8678 0.8678
Brugia malayi TAR-binding protein 0.0208 0.2638 0.8521
Echinococcus granulosus lamin 0.0028 0.0231 0.0231
Brugia malayi RNA binding protein 0.0208 0.2638 0.8521
Schistosoma mansoni hypothetical protein 0.0035 0.0328 0.0328
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0256 0.2825
Echinococcus granulosus intermediate filament protein 0.0028 0.0231 0.0231
Echinococcus multilocularis GPCR, family 2 0.0016 0.0077 0.0077
Echinococcus granulosus neuropeptide receptor 0.0661 0.8678 0.8678
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0521 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0077 0.0077
Schistosoma mansoni microtubule-associated protein tau 0.076 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0077 0.0077
Schistosoma mansoni lamin 0.0028 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0242 0.3096 0.7603
Schistosoma mansoni ran 0.0022 0.0152 0.0152
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0466 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0059 0.0146
Onchocerca volvulus 0.0031 0.027 0.0871
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0231 0.0566
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0059 0.0192
Schistosoma mansoni hypothetical protein 0.036 0.4669 0.4669
Trichomonas vaginalis set domain proteins, putative 0.0243 0.3101 1
Loa Loa (eye worm) acetyltransferase 0.0168 0.2102 0.5162
Onchocerca volvulus 0.0028 0.0231 0.0744
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0208 0.2638 0.6479
Schistosoma mansoni tar DNA-binding protein 0.0208 0.2638 0.2638
Echinococcus granulosus snurportin 1 0.0316 0.4072 0.4072
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0182 0.01
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0544 0.1335
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0466 1
Echinococcus multilocularis lamin 0.0028 0.0231 0.0231
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0182 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.2708 0.6651
Brugia malayi Pre-SET motif family protein 0.0213 0.2708 0.8748
Schistosoma mansoni lamin 0.0028 0.0231 0.0231
Echinococcus multilocularis microtubule associated protein 2 0.076 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0328 0.1059
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0182 0.01
Schistosoma mansoni intermediate filament proteins 0.0028 0.0231 0.0231

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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