Detailed information for compound 1788856

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 245.272 | Formula: C13H8FNOS
  • H donors: 0 H acceptors: 1 LogP: 3.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)Oc1ccnc2c1scc2
  • InChi: 1S/C13H8FNOS/c14-9-2-1-3-10(8-9)16-12-4-6-15-11-5-7-17-13(11)12/h1-8H
  • InChiKey: MSJILXJFGXIUIS-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 0.0141 0.0519 0.0519
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0921 0.7908 0.7908
Chlamydia trachomatis 1-deoxy-D-xylulose-5-phosphate synthase 0.0187 0.0956 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0141 0.0519 0.0386
Brugia malayi probable protein kinase 0.019 0.0988 0.0988
Plasmodium falciparum casein kinase 2, alpha subunit 0.1141 1 1
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0139 0.0139
Echinococcus granulosus dual specificity protein kinase clk2 0.0141 0.0519 0.0519
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0139 0.0139
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.1141 1 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0337 0.2384 0.2925
Leishmania major protein kinase, putative 0.0141 0.0519 0.0386
Giardia lamblia Kinase, CMGC CK2 0.1141 1 1
Brugia malayi Protein kinase domain containing protein 0.0921 0.7908 0.7908
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.0193 0.0193
Onchocerca volvulus 0.031 0.2127 0.2567
Echinococcus granulosus cyclin dependent kinase 5 0.0106 0.0193 0.0193
Trypanosoma brucei cdc2-related kinase 3 0.0106 0.0193 0.0055
Echinococcus multilocularis casein kinase ii subunit alpha 0.1141 1 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.01 0.0139 0.0139
Entamoeba histolytica cell division protein kinase 2, putative 0.0106 0.0193 0.0055
Trypanosoma brucei cdc2-related kinase 1 0.0106 0.0193 0.0055
Echinococcus multilocularis dual specificity protein kinase clk2 0.0141 0.0519 0.0519
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0141 0.0519 0.0386
Giardia lamblia Kinase, CMGC CLK 0.0141 0.0519 0.0386
Leishmania major protein kinase, putative 0.0141 0.0519 0.0386
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0141 0.0519 0.0386
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.014 0.0515 0.0515
Echinococcus multilocularis cyclin dependent kinase 1 0.0106 0.0193 0.0193
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.01 0.0139 0.0139
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0106 0.0193 0.0055
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0116 0.0285 0.0149
Echinococcus multilocularis cyclin dependent kinase 5 0.0106 0.0193 0.0193
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0337 0.2384 0.2384
Brugia malayi Protein kinase domain containing protein 0.0106 0.0193 0.0193
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0357 0.2569 0.2569
Trypanosoma brucei STE group serine/threonine-protein kinase, putative 0.0107 0.0201 0.0063
Onchocerca volvulus 0.0134 0.0453 0.0234
Schistosoma mansoni serine/threonine protein kinase 0.031 0.2127 0.2127
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0116 0.0285 0.0285
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0141 0.0519 0.0386
Trichomonas vaginalis CMGC family protein kinase 0.1141 1 1
Schistosoma mansoni protein kinase 0.019 0.0988 0.0988
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0337 0.2384 0.2384
Echinococcus multilocularis CDC7 cell division cycle 7 0.0134 0.0453 0.0453
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0116 0.0285 0.0149
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0141 0.0519 0.0386
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0141 0.0519 0.0386
Trichomonas vaginalis AGC family protein kinase 0.01 0.0139 0.0139
Entamoeba histolytica protein kinase domain containing protein 0.0357 0.2569 0.2464
Trichomonas vaginalis CMGC family protein kinase 0.0134 0.0453 0.0453
Leishmania major casein kinase II, putative 0.1141 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0134 0.0453 0.0453
Onchocerca volvulus 0.0873 0.7459 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0337 0.2384 0.2384
Onchocerca volvulus 0.0289 0.1926 0.2287
Plasmodium vivax unspecified product 0.1141 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1141 1 1
Echinococcus granulosus casein kinase ii subunit alpha 0.1141 1 1
Plasmodium falciparum protein serine/threonine kinase-1 0.0141 0.0519 0.0386
Echinococcus multilocularis cyclin dependent kinase 0.0106 0.0193 0.0193
Loa Loa (eye worm) AGC/PKA protein kinase 0.01 0.0139 0.0139
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0106 0.0193 0.0055
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0106 0.0193 0.0193
Trypanosoma cruzi casein kinase II, putative 0.1141 1 1
Echinococcus granulosus protein kinase shaggy 0.0116 0.0285 0.0285
Entamoeba histolytica protein kinase domain containing protein 0.1141 1 1
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate synthase Dxs1 (1-deoxyxylulose-5-phosphate synthase) (DXP synthase) (DXPS) 0.0187 0.0956 0.5
Loa Loa (eye worm) AGC/PKA protein kinase 0.01 0.0139 0.0139
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.01 0.0139 0.0139
Loa Loa (eye worm) CAMK/CAMKL/PASK protein kinase 0.0873 0.7459 0.7459
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.0285 0.0285
Trypanosoma cruzi cdc2-related kinase 3 0.0106 0.0193 0.0055
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0106 0.0193 0.0055
Trichomonas vaginalis CMGC family protein kinase 0.0134 0.0453 0.0453
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.01 0.0139 0.0139
Trypanosoma brucei Casein kinase II 0.1141 1 1
Echinococcus multilocularis 0.014 0.0515 0.0515
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate synthase, putative 0.0187 0.0956 0.0829
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0106 0.0193 0.0193
Giardia lamblia Kinase, CMGC CDK 0.0106 0.0193 0.0055
Schistosoma mansoni protein kinase 0.1141 1 1
Brugia malayi Homeodomain interacting protein kinase protein 1 0.0357 0.2569 0.2569
Trichomonas vaginalis CMGC family protein kinase 0.1141 1 1
Giardia lamblia Kinase, CMGC GSK 0.0116 0.0285 0.0149
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.1141 1 1
Brugia malayi cell division control protein 2 homolog 0.0106 0.0193 0.0193
Brugia malayi intracellular kinase 0.0116 0.0285 0.0285
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.01 0.0139 0.0139
Plasmodium falciparum protein kinase 5 0.0106 0.0193 0.0055
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0139 0.0139
Echinococcus multilocularis cyclin dependent kinase 1 0.0106 0.0193 0.0193
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.0285 0.0149
Schistosoma mansoni serine/threonine protein kinase 0.0337 0.2384 0.2384
Giardia lamblia Kinase, CMGC CDK 0.0106 0.0193 0.0055
Loa Loa (eye worm) CDC7 protein kinase 0.0134 0.0453 0.0453
Mycobacterium ulcerans 1-deoxy-D-xylulose-5-phosphate synthase 0.0187 0.0956 0.5
Echinococcus granulosus protein kinase 0.014 0.0515 0.0515
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0357 0.2569 0.2569
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0106 0.0193 0.0193
Plasmodium falciparum glycogen synthase kinase 3 0.0116 0.0285 0.0149
Onchocerca volvulus 0.0134 0.0453 0.0234
Trichomonas vaginalis CMGC family protein kinase 0.1141 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0106 0.0193 0.0055
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.0285 0.0285
Echinococcus multilocularis rho associated protein kinase 0.031 0.2127 0.2127
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.0285 0.0149
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0337 0.2384 0.2384
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.0285 0.0285
Trichomonas vaginalis CMGC family protein kinase 0.1141 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0357 0.2569 0.2569
Trypanosoma cruzi cdc2-related kinase 1 0.0106 0.0193 0.0055
Echinococcus multilocularis protein kinase shaggy 0.0116 0.0285 0.0285
Giardia lamblia Kinase, CDC7 0.0134 0.0453 0.0319
Brugia malayi Protein kinase domain containing protein 0.0134 0.0453 0.0453
Echinococcus granulosus hypothetical protein 0.0119 0.0318 0.0318
Toxoplasma gondii CMGC kinase, CK2 family 0.1141 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0141 0.0519 0.0386
Entamoeba histolytica protein kinase, putative 0.0116 0.0285 0.0149
Echinococcus granulosus cyclin dependent kinase 0.0106 0.0193 0.0193
Plasmodium vivax serine/threonine kinase-1, putative 0.0141 0.0519 0.0386
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0169 0.0787 0.0787
Loa Loa (eye worm) hypothetical protein 0.0119 0.0318 0.0318
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.01 0.0139 0.0139
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0337 0.2384 0.2384
Schistosoma mansoni serine/threonine protein kinase 0.0141 0.0519 0.0519
Trichomonas vaginalis CMGC family protein kinase 0.0106 0.0193 0.0193
Trypanosoma cruzi cdc2-related kinase 1 0.0106 0.0193 0.0055
Schistosoma mansoni protein kinase 0.014 0.0515 0.0515
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0116 0.0285 0.0285
Entamoeba histolytica cell division protein kinase 2, putative 0.0106 0.0193 0.0055
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0169 0.0787 0.0787
Echinococcus granulosus cyclin dependent kinase 1 0.0106 0.0193 0.0193
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0141 0.0519 0.0519
Trypanosoma brucei protein kinase, putative 0.0116 0.0285 0.0149
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate synthase 0.0187 0.0956 0.0829
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0106 0.0193 0.0193
Entamoeba histolytica casein kinase, putative 0.1141 1 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0116 0.0285 0.0149
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0357 0.2569 0.2569
Trichomonas vaginalis CMGC family protein kinase 0.1141 1 1
Giardia lamblia Kinase, CMGC GSK 0.0116 0.0285 0.0149
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0116 0.0285 0.0285
Trichomonas vaginalis CMGC family protein kinase 0.1141 1 1
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE SYNTHASE DXS1 (1-DEOXYXYLULOSE-5-PHOSPHATE SYNTHASE) (DXP SYNTHASE) (DXPS) 0.0187 0.0956 1
Plasmodium vivax protein kinase Crk2 0.0106 0.0193 0.0055
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.01 0.0139 0.0139
Brugia malayi Protein kinase domain containing protein 0.0337 0.2384 0.2384
Echinococcus granulosus CDC7 cell division cycle 7 0.0134 0.0453 0.0453
Trichomonas vaginalis CMGC family protein kinase 0.0106 0.0193 0.0193
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0116 0.0285 0.0149
Toxoplasma gondii 1-deoxy-D-xylulose-5-phosphate synthase 0.0187 0.0956 0.0829
Schistosoma mansoni serine/threonine protein kinase 0.0141 0.0519 0.0519
Treponema pallidum 1-deoxy-D-xylulose-5-phosphate synthase 0.0187 0.0956 0.5
Brugia malayi Protein kinase domain containing protein 0.0141 0.0519 0.0519
Echinococcus granulosus rho-associated protein kinase 1 0.031 0.2127 0.2127
Trichomonas vaginalis CMGC family protein kinase 0.0106 0.0193 0.0193
Trichomonas vaginalis CMGC family protein kinase 0.0134 0.0453 0.0453
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.0285 0.0285
Echinococcus multilocularis 0.0119 0.0318 0.0318
Loa Loa (eye worm) hypothetical protein 0.01 0.0139 0.0139
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.01 0.0139 0.0139

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 103.47 uM Growth inhibition of human HCT15 cells after 48 hrs by SRB assay ChEMBL. 24121236

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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