Detailed information for compound 1470016

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 536.658 | Formula: C25H30F2N4O3S2
  • H donors: 0 H acceptors: 4 LogP: 4.68 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1sc2c(n1)c(F)cc(c2)F)C
  • InChi: 1S/C25H30F2N4O3S2/c1-29(2)12-7-15-31(25-28-23-21(27)16-19(26)17-22(23)35-25)24(32)18-8-10-20(11-9-18)36(33,34)30-13-5-3-4-6-14-30/h8-11,16-17H,3-7,12-15H2,1-2H3
  • InChiKey: NRWWLWPELBICBM-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
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0115 0.0721 0.0721
Echinococcus granulosus casein kinase ii subunit beta 0.0112 0.0691 0.0686
Trichomonas vaginalis CMGC family protein kinase 0.1176 1 1
Echinococcus granulosus dual specificity 0.0187 0.1351 0.1346
Echinococcus multilocularis casein kinase ii subunit beta 0.0112 0.0691 0.0686
Echinococcus granulosus death associated protein kinase 1 0.0573 0.4729 0.4725
Giardia lamblia Kinase, CMGC CDK 0.0061 0.0249 0.0249
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0225 0.168 0.1468
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0033 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0172 0.1217 0.1217
Echinococcus multilocularis dual specificity 0.0225 0.168 0.1675
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0115 0.0721 0.0721
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0225 0.168 0.168
Entamoeba histolytica protein kinase domain containing protein 0.0066 0.0294 0.0294
Trichomonas vaginalis CMGC family protein kinase 0.1176 1 1
Plasmodium vivax casein kinase II beta chain, putative 0.0112 0.0691 0.0454
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0185 0.1336 0.1336
Giardia lamblia Casein kinase II beta chain 0.0112 0.0691 0.0691
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0061 0.0249 0.0249
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0185 0.1336 0.1331
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0112 0.0691 0.0691
Trichomonas vaginalis CMGC family protein kinase 0.1176 1 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0187 0.1351 0.1131
Echinococcus granulosus cyclin dependent kinase 0.0061 0.0249 0.0242
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0061 0.0249 0.0249
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0112 0.0691 0.0691
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0066 0.0294 0.0288
Toxoplasma gondii CMGC kinase, CK2 family 0.1176 1 1
Giardia lamblia Kinase, CMGC CK2 0.1176 1 1
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.1176 1 1
Giardia lamblia Kinase, CMGC CDK 0.0061 0.0249 0.0249
Trypanosoma brucei protein kinase, putative 0.0066 0.0294 0.0047
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0187 0.1351 0.1131
Echinococcus multilocularis death associated protein kinase 1 0.08 0.6708 0.6706
Echinococcus granulosus dual specificity 0.0225 0.168 0.1675
Echinococcus multilocularis dual specificity 0.0187 0.1351 0.1346
Echinococcus multilocularis cyclin dependent kinase 5 0.0061 0.0249 0.0242
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0108 0.0655 0.0655
Brugia malayi Protein kinase domain containing protein 0.0185 0.1336 0.1336
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0112 0.0691 0.0454
Trichomonas vaginalis CMGC family protein kinase 0.0225 0.168 0.168
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0187 0.1351 0.1351
Loa Loa (eye worm) Csnk2b protein 0.0112 0.0691 0.0691
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0249 0.0249
Trichomonas vaginalis CMGC family protein kinase 0.0066 0.0294 0.0294
Entamoeba histolytica protein kinase domain containing protein 0.1176 1 1
Echinococcus granulosus dual specificity 0.0225 0.168 0.1675
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0225 0.168 0.1468
Entamoeba histolytica cell division protein kinase 2, putative 0.0061 0.0249 0.0249
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0187 0.1351 0.1131
Plasmodium falciparum glycogen synthase kinase 3 0.0066 0.0294 0.0047
Entamoeba histolytica cell division protein kinase 2, putative 0.0061 0.0249 0.0249
Schistosoma mansoni serine/threonine protein kinase 0.0686 0.5709 0.5707
Trichomonas vaginalis CMGC family protein kinase 0.1176 1 1
Echinococcus granulosus cyclin dependent kinase 1 0.0061 0.0249 0.0242
Plasmodium falciparum casein kinase II beta chain 0.0112 0.0691 0.0454
Trichomonas vaginalis CMGC family protein kinase 0.0225 0.168 0.168
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0225 0.168 0.168
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0066 0.0294 0.0047
Brugia malayi Homeodomain interacting protein kinase protein 1 0.0686 0.5709 0.5709
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0112 0.0691 0.0454
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Entamoeba histolytica casein kinase, putative 0.1176 1 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.1217 0.1217
Entamoeba histolytica protein kinase, putative 0.0066 0.0294 0.0294
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0115 0.0721 0.0715
Plasmodium falciparum casein kinase II beta chain 0.0112 0.0691 0.0454
Entamoeba histolytica protein kinase domain containing protein 0.0066 0.0294 0.0294
Schistosoma mansoni protein kinase 0.1176 1 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0066 0.0294 0.0288
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0112 0.0691 0.0454
Brugia malayi Csnk2b protein 0.0112 0.0691 0.0691
Schistosoma mansoni serine/threonine protein kinase 0.0185 0.1336 0.1331
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0112 0.0691 0.3811
Echinococcus multilocularis casein kinase ii subunit alpha 0.1176 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1176 1 1
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0112 0.0691 0.3811
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0108 0.0655 0.0655
Brugia malayi Protein kinase domain containing protein 0.0061 0.0249 0.0249
Trichomonas vaginalis CMGC family protein kinase 0.0225 0.168 0.168
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0046 0.0114 0.0114
Echinococcus multilocularis dual specificity 0.0225 0.168 0.1675
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0249 0.0242
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0686 0.5709 0.5707
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Entamoeba histolytica hypothetical protein 0.0187 0.1351 0.1351
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0066 0.0294 0.0047
Trichomonas vaginalis CMGC family protein kinase 0.1176 1 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0061 0.0249 0.0242
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Echinococcus multilocularis cyclin dependent kinase 1 0.0061 0.0249 0.0242
Echinococcus multilocularis cyclin dependent kinase 0.0061 0.0249 0.0242
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0066 0.0294 0.0047
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0187 0.1351 0.1131
Entamoeba histolytica protein kinase domain containing protein 0.0225 0.168 0.168
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Brugia malayi cell division control protein 2 homolog 0.0061 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0033 0.0006 0.0006
Trypanosoma brucei Casein kinase II 0.1176 1 1
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0112 0.0691 0.0691
Plasmodium vivax casein kinase II beta chain, putative 0.0112 0.0691 0.0454
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0225 0.168 0.1468
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0686 0.5709 0.5707
Echinococcus multilocularis cyclin dependent kinase 1 0.0061 0.0249 0.0242
Giardia lamblia Kinase, CMGC GSK 0.0066 0.0294 0.0294
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0225 0.168 0.1468
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.1176 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0066 0.0294 0.0294
Echinococcus granulosus casein kinase ii subunit alpha 0.1176 1 1
Echinococcus multilocularis protein kinase shaggy 0.0066 0.0294 0.0288
Leishmania major casein kinase II, putative 0.1176 1 1
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0686 0.5709 0.5709
Schistosoma mansoni voltage-gated potassium channel 0.0126 0.0814 0.0808
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0249 0.0249
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Trypanosoma cruzi casein kinase II, putative 0.1176 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0066 0.0294 0.0294
Trichomonas vaginalis CMGC family protein kinase 0.1176 1 1
Brugia malayi intracellular kinase 0.0066 0.0294 0.0294
Echinococcus granulosus protein kinase shaggy 0.0066 0.0294 0.0288
Schistosoma mansoni serine/threonine protein kinase 0.0187 0.1351 0.1346
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0112 0.0691 0.0454
Trichomonas vaginalis CMGC family protein kinase 0.0225 0.168 0.168
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0185 0.1336 0.1336
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0185 0.1336 1
Echinococcus granulosus dual specificity 0.0225 0.168 0.1675
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0112 0.0691 0.0454
Schistosoma mansoni serine/threonine protein kinase 0.0225 0.168 0.1675
Plasmodium falciparum casein kinase 2, alpha subunit 0.1176 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Entamoeba histolytica protein kinase, putative 0.0187 0.1351 0.1351
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0061 0.0249 0.0249
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Echinococcus granulosus cyclin dependent kinase 5 0.0061 0.0249 0.0242
Entamoeba histolytica protein kinase domain containing protein 0.0187 0.1351 0.1351
Plasmodium vivax unspecified product 0.1176 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0588 0.0588
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Entamoeba histolytica protein kinase, putative 0.0187 0.1351 0.1351
Trichomonas vaginalis CMGC family protein kinase 0.0225 0.168 0.168
Echinococcus multilocularis dual specificity 0.0225 0.168 0.1675
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0185 0.1336 0.1336
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Entamoeba histolytica protein kinase, putative 0.0225 0.168 0.168
Trichomonas vaginalis casein kinase II beta chain, putative 0.0112 0.0691 0.0691
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0249 0.0242
Giardia lamblia Kinase, CMGC GSK 0.0066 0.0294 0.0294
Schistosoma mansoni casein kinase II beta subunit 0.0112 0.0691 0.0686
Schistosoma mansoni voltage-gated potassium channel 0.0126 0.0814 0.0808
Brugia malayi Protein kinase domain containing protein 0.0187 0.1351 0.1351
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0066 0.0294 0.0288
Plasmodium vivax glycogen synthase kinase 3, putative 0.0066 0.0294 0.0047
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0115 0.0721 0.0715
Giardia lamblia Kinase, CMGC DYRK 0.0225 0.168 0.168
Toxoplasma gondii ck2 beta subunit 0.0112 0.0691 0.0454
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0066 0.0294 0.0294
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0185 0.1336 0.1331
Entamoeba histolytica protein kinase domain containing protein 0.0686 0.5709 0.5709
Trichomonas vaginalis CMGC family protein kinase 0.0225 0.168 0.168

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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