Detailed information for compound 822448

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.532 | Formula: C22H26N4O2S
  • H donors: 2 H acceptors: 3 LogP: 4.33 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)c1sc2c(c1C)c(ncn2)NC1CCCc2c1cccc2
  • InChi: 1S/C22H26N4O2S/c1-14-18-20(26-17-10-5-8-15-7-3-4-9-16(15)17)24-13-25-22(18)29-19(14)21(27)23-11-6-12-28-2/h3-4,7,9,13,17H,5-6,8,10-12H2,1-2H3,(H,23,27)(H,24,25,26)
  • InChiKey: JCBYNOOXCKMMAE-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
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2575 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.2575 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0069
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2575 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0559 0.2115
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.2575 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.2575 0.5
Brugia malayi DIX domain containing protein 0.0009 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Schistosoma mansoni dep domain containing protein 0.0009 0.0164 0.0637
Schistosoma mansoni hypothetical protein 0.0016 0.0559 0.217
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2512 0.2498
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2512 0.2498
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0559 0.0542
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2575 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0559 0.0542
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.2575 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.2575 1
Schistosoma mansoni hypothetical protein 0.0016 0.0559 0.217
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1608 0.1593
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0164 0.0146
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0572
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0572
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0069
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0164 0.0637
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.2575 0.5
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0572
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0069
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0559 0.0542
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.2575 1
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.2575 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Brugia malayi MAP kinase sur-1 0.0051 0.2575 0.2562
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2575 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1608 0.1593
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.2575 1
Loa Loa (eye worm) hypothetical protein 0.005 0.2512 0.2498
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0572
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0164 0.0146
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.2575 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0164 0.0146
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0572
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0179 1 1
Trypanosoma brucei protein kinase, putative 0.0051 0.2575 0.5
Echinococcus granulosus GPCR family 2 0.0016 0.0559 0.2115
Schistosoma mansoni hypothetical protein 0.0016 0.0559 0.217
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0572
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.2575 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0572
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0559 0.0542
Loa Loa (eye worm) hypothetical protein 0.0179 1 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.2575 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0559 0.2115
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0559 0.2115
Schistosoma mansoni dishevelled 0.0009 0.0164 0.0637
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0164 0.0572
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.2575 1
Schistosoma mansoni hypothetical protein 0.0034 0.1608 0.6244
Schistosoma mansoni dishevelled 0.0009 0.0164 0.0637
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0164 0.0572
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0164 0.0637
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0164 0.0637
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2512 0.2498
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0559 0.2115
Entamoeba histolytica hypothetical protein 0.0006 0.0018 0.5
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0018 0.0069
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0572
Schistosoma mansoni hypothetical protein 0.0016 0.0559 0.217
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.2575 0.2562
Onchocerca volvulus 0.0009 0.0164 0.0146
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.2575 1
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0018 0.0069
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0559 0.2115

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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