Detailed information for compound 1608000

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 368.382 | Formula: C19H13FN2O3S
  • H donors: 2 H acceptors: 3 LogP: 3.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ON=C1c2cc(ccc2c2c1cccc2)NS(=O)(=O)c1cccc(c1)F
  • InChi: 1S/C19H13FN2O3S/c20-12-4-3-5-14(10-12)26(24,25)22-13-8-9-16-15-6-1-2-7-17(15)19(21-23)18(16)11-13/h1-11,22-23H
  • InChiKey: OFNVBEJIAOUXJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aurora kinase B Starlite/ChEMBL No references
Homo sapiens aurora kinase A Starlite/ChEMBL No references
Homo sapiens kinase insert domain receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 aurora kinase B 303 aa 299 aa 22.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis neuroglian 0.0014 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0257 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Schistosoma mansoni cell adhesion molecule 0.0015 0.0334 0.0334
Echinococcus multilocularis Immunoglobulin 0.0011 0.0188 0.0188
Schistosoma mansoni protein kinase 0.0136 0.5172 0.5172
Giardia lamblia Aurora kinase 0.0136 0.5172 0.5
Echinococcus multilocularis Mastin 0.0257 1 1
Trichomonas vaginalis AGC family protein kinase 0.0136 0.5172 0.5
Onchocerca volvulus 0.0257 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0334 0.0334
Leishmania major protein kinase, putative 0.0136 0.5172 0.5
Entamoeba histolytica protein kinase , putative 0.0136 0.5172 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0188 0.0188
Entamoeba histolytica protein kinase domain containing protein 0.0136 0.5172 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0257 1 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0188 0.0188
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0188 0.0188
Echinococcus multilocularis Immunoglobulin 0.0011 0.0188 0.0188
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.7019 0.7019
Toxoplasma gondii aurora kinase 0.0136 0.5172 0.5
Schistosoma mansoni nephrin 0.0014 0.0302 0.0302
Echinococcus granulosus aurora kinase A 0.0136 0.5172 0.5172
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0257 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0257 1 1
Brugia malayi hypothetical protein 0.0011 0.0188 0.0188
Plasmodium falciparum serine/threonine protein kinase, putative 0.0136 0.5172 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Echinococcus granulosus enteropeptidase 0.0257 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0257 1 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0136 0.5172 0.5172
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.0188 0.0188
Onchocerca volvulus 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0257 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0136 0.5172 0.5172
Onchocerca volvulus 0.0257 1 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0257 1 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0136 0.5172 0.5
Loa Loa (eye worm) AUR protein kinase 0.0136 0.5172 0.5172
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0188 0.0188
Loa Loa (eye worm) hypothetical protein 0.0257 1 1
Onchocerca volvulus 0.0257 1 1
Onchocerca volvulus 0.0167 0.6385 0.6385
Mycobacterium ulcerans hypothetical protein 0.0257 1 0.5
Brugia malayi serine/threonine kinase 12 0.0136 0.5172 0.5172
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0188 0.0188
Echinococcus granulosus twitchin 0.0015 0.0346 0.0346
Onchocerca volvulus 0.0257 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.654 0.654
Trichomonas vaginalis AGC family protein kinase 0.0136 0.5172 0.5
Echinococcus multilocularis aurora kinase A 0.0136 0.5172 0.5172
Loa Loa (eye worm) AUR protein kinase 0.0136 0.5172 0.5172
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0334 0.0334
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Echinococcus granulosus Immunoglobulin 0.0011 0.0188 0.0188
Echinococcus granulosus glycoprotein Antigen 5 0.0257 1 1
Echinococcus granulosus neuroglian 0.0014 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0257 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Schistosoma mansoni tyrosine kinase 0.0008 0.0041 0.0041
Trypanosoma cruzi aurora B kinase, putative 0.0136 0.5172 0.5
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0188 0.0188
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0136 0.5172 0.5
Brugia malayi hypothetical protein 0.0257 1 1
Schistosoma mansoni hypothetical protein 0.0257 1 1
Trichomonas vaginalis AGC family protein kinase 0.0136 0.5172 0.5
Brugia malayi Trypsin family protein 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0257 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0136 0.5172 0.5172
Echinococcus multilocularis roundabout 2 0.0018 0.0448 0.0448
Loa Loa (eye worm) hypothetical protein 0.0018 0.0448 0.0448
Loa Loa (eye worm) hypothetical protein 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0188 0.0188
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0136 0.5172 0.5172
Echinococcus granulosus Mastin 0.0257 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Brugia malayi Trypsin family protein 0.0257 1 1
Loa Loa (eye worm) AUR protein kinase 0.0136 0.5172 0.5172
Echinococcus granulosus defective proboscis extension response 0.0011 0.0188 0.0188
Entamoeba histolytica protein kinase, putative 0.0136 0.5172 0.5
Brugia malayi Trypsin family protein 0.0257 1 1
Echinococcus multilocularis glycoprotein Antigen 5 0.0257 1 1
Echinococcus granulosus roundabout 2 0.0018 0.0448 0.0448
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0188 0.0188
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0136 0.5172 0.5
Onchocerca volvulus 0.0257 1 1
Loa Loa (eye worm) trypsin family protein 0.0257 1 1
Brugia malayi Trypsin-like protease protein 5 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0448 0.0448
Schistosoma mansoni hypothetical protein 0.0257 1 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0136 0.5172 0.5
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0257 1 1
Entamoeba histolytica protein kinase, putative 0.0136 0.5172 0.5
Trypanosoma brucei aurora B kinase 0.0136 0.5172 0.5
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0008 0.0044 0.0044
Brugia malayi serine/threonine protein kinase 6 0.0136 0.5172 0.5172
Trichomonas vaginalis AGC family protein kinase 0.0136 0.5172 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0257 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0257 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0257 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.7019 0.7019
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0188 0.0188
Echinococcus granulosus transmembrane protease serine 3 0.0257 1 1
Echinococcus multilocularis transmembrane protease serine 3 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0188 0.0188
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0257 1 1
Schistosoma mansoni vesicular amine transporter 0.0011 0.0188 0.0188
Echinococcus multilocularis enteropeptidase 0.0257 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR ChEMBL. No reference
Ki (functional) = 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6 ChEMBL. No reference
Ki (functional) = 8.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK12 ChEMBL. No reference

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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