Detailed information for compound 807007

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 493.105 | Formula: C25H37ClN4O2S
  • H donors: 0 H acceptors: 2 LogP: 4.25 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCCC(=O)N(C(C1CCN(CC1)Cc1c(C)nn(c1Cl)C)Cc1cccc(c1)OC)C
  • InChi: 1S/C25H37ClN4O2S/c1-18-22(25(26)29(3)27-18)17-30-12-9-20(10-13-30)23(28(2)24(31)11-14-33-5)16-19-7-6-8-21(15-19)32-4/h6-8,15,20,23H,9-14,16-17H2,1-5H3
  • InChiKey: FXLIWQCJXOVIRW-UHFFFAOYSA-N  

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
Brugia malayi Protein kinase domain containing protein 0.0122 0.0318 0.0318
Schistosoma mansoni serine/threonine protein kinase 0.0122 0.0318 0.0318
Entamoeba histolytica PH domain containing protein kinase, putative 0.0985 0.8012 1
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0089 0.0023 0.0023
Brugia malayi p70 ribosomal S6 kinase beta 0.0122 0.0318 0.0318
Echinococcus multilocularis protein kinase c iota type 0.0208 0.1085 0.1085
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0122 0.0318 0.0318
Echinococcus multilocularis protein kinase c epsilon type 0.1208 1 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0122 0.0318 0.0318
Schistosoma mansoni serine/threonine protein kinase 0.0226 0.1244 0.1244
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0089 0.0023 0.0023
Echinococcus granulosus serine:threonine protein kinase N2 0.0985 0.8012 0.8012
Schistosoma mansoni serine/threonine protein kinase 0.0122 0.0318 0.0318
Entamoeba histolytica protein kinase, putative 0.0122 0.0318 0.0397
Entamoeba histolytica protein kinase, putative 0.0122 0.0318 0.0397
Brugia malayi Protein kinase domain containing protein 0.0089 0.0023 0.0023
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0122 0.0318 0.0318
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Echinococcus granulosus protein kinase C gamma type 0.014 0.0477 0.0477
Loa Loa (eye worm) AGC/AKT protein kinase 0.0122 0.0318 0.0318
Schistosoma mansoni protein kinase C 0.0104 0.0159 0.0159
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0122 0.0318 0.0318
Toxoplasma gondii AGC kinase 0.0122 0.0318 1
Brugia malayi Protein kinase c protein 2 0.0107 0.0183 0.0183
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.0023 0.0023
Schistosoma mansoni protein kinase C mu 0.0089 0.0023 0.0023
Brugia malayi Protein kinase domain containing protein 0.0122 0.0318 0.0318
Echinococcus granulosus serine:threonine protein kinase N2 0.0122 0.0318 0.0318
Entamoeba histolytica protein kinase, putative 0.0122 0.0318 0.0397
Loa Loa (eye worm) AGC/NDR protein kinase 0.0122 0.0318 0.0318
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0089 0.0023 0.0023
Echinococcus multilocularis serine:threonine protein kinase N2 0.1104 0.9074 0.9074
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0122 0.0318 0.0318
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0122 0.0318 0.0318
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0122 0.0318 0.0318
Schistosoma mansoni atypical protein kinase C 0.0208 0.1085 0.1085
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0089 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0104 0.0159 0.0159
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0226 0.1244 0.1244
Echinococcus granulosus protein kinase c epsilon type 0.1208 1 1
Echinococcus granulosus unc 13 munc13 0.0104 0.0159 0.0159
Schistosoma mansoni unc-13 (munc13) 0.0104 0.0159 0.0159
Schistosoma mansoni serine/threonine protein kinase 0.0122 0.0318 0.0318
Echinococcus multilocularis serine:threonine protein kinase N2 0.0122 0.0318 0.0318
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0122 0.0318 0.0318
Echinococcus multilocularis serine threonine protein kinase 0.014 0.0477 0.0477
Echinococcus granulosus protein kinase c iota type 0.0208 0.1085 0.1085
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0122 0.0318 0.0318
Schistosoma mansoni serine/threonine protein kinase 0.0226 0.1244 0.1244
Schistosoma mansoni serine/threonine protein kinase 0.0122 0.0318 0.0318
Schistosoma mansoni serine/threonine protein kinase 0.1208 1 1
Entamoeba histolytica protein kinase, putative 0.0122 0.0318 0.0397
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0104 0.0159 0.0159
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Echinococcus multilocularis unc 13 (munc13) 0.0104 0.0159 0.0159
Schistosoma mansoni unc-13 (munc13) 0.0104 0.0159 0.0159
Schistosoma mansoni serine/threonine kinase 0.0122 0.0318 0.0318
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0089 0.0023 0.0023
Echinococcus granulosus NDR protein kinase 0.0122 0.0318 0.0318
Brugia malayi protein kinase C3,putative 0.0089 0.0023 0.0023
Onchocerca volvulus 0.0104 0.0159 1
Brugia malayi Hr1 repeat family protein 0.0122 0.0318 0.0318
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0122 0.0318 0.0318
Echinococcus granulosus Protein kinase C brain isozyme 0.0226 0.1244 0.1244
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0104 0.0159 0.0159
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.0023 0.0023
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.0318 0.0318
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0122 0.0318 0.0318
Trypanosoma brucei rac serine-threonine kinase, putative 0.0122 0.0318 0.5
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.1208 1 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0122 0.0318 0.0318
Brugia malayi C1-like domain containing protein 0.0089 0.0023 0.0023
Brugia malayi Protein kinase domain containing protein 0.0122 0.0318 0.0318
Trichomonas vaginalis AGC family protein kinase 0.0122 0.0318 1

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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