Detailed information for compound 1730924

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 286.293 | Formula: C14H17F3N2O
  • H donors: 0 H acceptors: 0 LogP: 3.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCCC(C1)O/N=C/c1cccc(c1)C(F)(F)F
  • InChi: 1S/C14H17F3N2O/c1-19-7-3-6-13(10-19)20-18-9-11-4-2-5-12(8-11)14(15,16)17/h2,4-5,8-9,13H,3,6-7,10H2,1H3/b18-9+
  • InChiKey: LXOHSHNIWNUDBG-GIJQJNRQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni serine/threonine protein kinase 0.0078 0.042 0.1088
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.017 0.252 0.6525
Schistosoma mansoni titin 0.0109 0.1138 0.2947
Echinococcus granulosus casein kinase I delta 0.0113 0.1218 0.2435
Echinococcus granulosus peroxidasin 0.0109 0.1138 0.2276
Schistosoma mansoni nephrin 0.0109 0.1138 0.2947
Brugia malayi Prion-like- 0.0109 0.1138 0.1138
Loa Loa (eye worm) TK/ABL protein kinase 0.0236 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.017 0.252 0.252
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0106 0.1067 0.2134
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1138 0.1138
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0106 0.1067 0.2134
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0106 0.1067 0.2134
Schistosoma mansoni nephrin 0.022 0.3659 0.9472
Loa Loa (eye worm) TK protein kinase 0.0073 0.0308 0.0308
Brugia malayi SRC-1 0.0106 0.1067 0.1067
Echinococcus granulosus casein kinase i 0.0113 0.1218 0.2435
Schistosoma mansoni Neurotrimin precursor (hNT) 0.017 0.252 0.6525
Schistosoma mansoni cell adhesion molecule 0.0109 0.1138 0.2947
Entamoeba histolytica protein kinase domain containing protein 0.0096 0.0829 0.4948
Echinococcus multilocularis cyclin dependent kinase 7 0.0078 0.042 0.0841
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0106 0.1067 0.2134
Echinococcus granulosus defective proboscis extension response 0.017 0.252 0.5039
Brugia malayi Fibronectin type III domain containing protein 0.017 0.252 0.252
Brugia malayi cyclin-dependent kinase 7 homolog 0.0078 0.042 0.042
Echinococcus multilocularis epidermal growth factor receptor 0.0166 0.2421 0.4841
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1138 0.1138
Echinococcus granulosus single minded 2 0.011 0.116 0.2319
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1138 0.1138
Echinococcus granulosus roundabout 2 0.0279 0.5001 1
Loa Loa (eye worm) hypothetical protein 0.017 0.252 0.252
Echinococcus granulosus roundabout 2 0.0109 0.1138 0.2276
Echinococcus multilocularis epidermal growth factor receptor 0.0099 0.0908 0.1815
Schistosoma mansoni neuroglian 0.0109 0.1138 0.2947
Schistosoma mansoni tyrosine kinase 0.0077 0.0396 0.1025
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0109 0.1138 0.1138
Schistosoma mansoni tyrosine kinase 0.0106 0.1067 0.2763
Schistosoma mansoni cell adhesion molecule 0.0109 0.1138 0.2947
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0099 0.0908 0.1815
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0093 0.0762 0.1523
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0109 0.1138 0.2276
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0109 0.1138 0.2276
Echinococcus granulosus tyrosine protein kinase Fyn 0.0106 0.1067 0.2134
Echinococcus multilocularis peroxidasin 0.0109 0.1138 0.2276
Loa Loa (eye worm) hypothetical protein 0.017 0.252 0.252
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) hypothetical protein 0.0229 0.3863 0.3863
Echinococcus multilocularis casein kinase i 0.0113 0.1218 0.2435
Echinococcus granulosus tyrosine protein kinase Blk 0.0093 0.0762 0.1523
Echinococcus granulosus tyrosine protein kinase ABL1 0.0236 0.4006 0.8009
Trichomonas vaginalis CK1 family protein kinase 0.0113 0.1218 1
Schistosoma mansoni protein kinase 0.0113 0.1218 0.3153
Echinococcus multilocularis neuroglian 0.022 0.3659 0.7316
Onchocerca volvulus 0.0113 0.1218 0.1193
Echinococcus multilocularis hemicentin 1 0.0109 0.1138 0.2276
Echinococcus multilocularis protein kinase shaggy 0.0096 0.0829 0.1657
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0113 0.1218 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0106 0.1067 0.2134
Echinococcus granulosus tyrosine protein kinase Fyn 0.0106 0.1067 0.2134
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0106 0.1067 0.2134
Brugia malayi Immunoglobulin I-set domain containing protein 0.0419 0.8157 0.8157
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0073 0.0308 0.0615
Loa Loa (eye worm) hypothetical protein 0.0109 0.1138 0.1138
Echinococcus multilocularis neuroglian 0.0109 0.1138 0.2276
Brugia malayi Tyrosine-protein kinase abl-1 0.0123 0.1451 0.1451
Brugia malayi intracellular kinase 0.0096 0.0829 0.0829
Echinococcus granulosus casein kinase I gamma 0.0119 0.1363 0.2724
Schistosoma mansoni tyrosine kinase 0.0132 0.165 0.4272
Brugia malayi bHLH-PAS transcription factor 0.011 0.116 0.116
Loa Loa (eye worm) hypothetical protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) hypothetical protein 0.0109 0.1138 0.1138
Plasmodium falciparum casein kinase 1 0.0113 0.1218 1
Brugia malayi Protein kinase domain containing protein 0.0119 0.1363 0.1363
Echinococcus granulosus roundabout 2 0.0109 0.1138 0.2276
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0113 0.1223 0.1223
Brugia malayi casein kinase I 0.0113 0.1218 0.1218
Loa Loa (eye worm) hypothetical protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) hypothetical protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) TK/ROR protein kinase 0.0073 0.0308 0.0308
Loa Loa (eye worm) SRC-1 0.0106 0.1067 0.1067
Echinococcus granulosus tyrosine protein kinase Src42A 0.0106 0.1067 0.2134
Echinococcus multilocularis Immunoglobulin 0.017 0.252 0.5039
Brugia malayi Tyrosine-protein kinase abl-1 0.0126 0.1518 0.1518
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0113 0.1218 0.1218
Trypanosoma cruzi casein kinase, putative 0.0113 0.1218 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0109 0.1138 0.2276
Trypanosoma brucei casein kinase I, isoform 2 0.0113 0.1218 1
Loa Loa (eye worm) hypothetical protein 0.05 1 1
Echinococcus granulosus lachesin 0.0109 0.1138 0.2276
Echinococcus multilocularis casein kinase I alpha 0.0113 0.1218 0.2435
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0109 0.1138 0.2276
Entamoeba histolytica casein kinase 1, putative 0.0113 0.1218 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0106 0.1067 0.2134
Echinococcus granulosus Immunoglobulin 0.017 0.252 0.5039
Echinococcus granulosus neuroglian 0.0109 0.1138 0.2276
Schistosoma mansoni vesicular amine transporter 0.017 0.252 0.6525
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0109 0.1134 0.7834
Echinococcus multilocularis lachesin 0.0109 0.1138 0.2276
Echinococcus multilocularis roundabout 2 0.0279 0.5001 1
Echinococcus granulosus casein kinase I alpha 0.0113 0.1218 0.2435
Brugia malayi Protein kinase domain containing protein 0.0068 0.0196 0.0196
Echinococcus multilocularis basement membrane specific heparan sulfate 0.017 0.252 0.5039
Echinococcus multilocularis roundabout 2 0.0109 0.1138 0.2276
Schistosoma mansoni tyrosine kinase 0.0166 0.2421 0.6267
Echinococcus granulosus neuroglian 0.022 0.3659 0.7316
Schistosoma mansoni septate junction protein 0.0109 0.1138 0.2947
Entamoeba histolytica protein kinase domain containing protein 0.0096 0.0829 0.4948
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) hypothetical protein 0.0279 0.5001 0.5001
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0078 0.042 0.042
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0109 0.1138 0.2947
Trypanosoma cruzi casein kinase, putative 0.0113 0.1218 1
Echinococcus granulosus casein kinase I alpha 0.0113 0.1218 0.2435
Loa Loa (eye worm) hypothetical protein 0.0279 0.5001 0.5001
Schistosoma mansoni tyrosine kinase 0.0099 0.0908 0.235
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) protein kinase domain-containing protein 0.0119 0.1363 0.1363
Loa Loa (eye worm) TK/EGFR protein kinase 0.0166 0.2421 0.2421
Loa Loa (eye worm) TK protein kinase 0.0079 0.0448 0.0448
Entamoeba histolytica casein kinase, putative 0.0113 0.1218 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0093 0.0762 0.1523
Onchocerca volvulus Tyrosine kinase homolog 0.0239 0.4091 1
Echinococcus granulosus hemicentin 1 0.0109 0.1138 0.2276
Leishmania major casein kinase, putative 0.0113 0.1218 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0096 0.0829 0.0829
Brugia malayi casein kinase 1, delta 0.0113 0.1218 0.1218
Brugia malayi Immunoglobulin I-set domain containing protein 0.017 0.252 0.252
Plasmodium vivax casein kinase 1, putative 0.0113 0.1218 1
Trypanosoma cruzi casein kinase, putative 0.0113 0.1218 1
Toxoplasma gondii casein kinase I 0.0113 0.1218 1
Schistosoma mansoni tyrosine kinase 0.0106 0.1067 0.2763
Loa Loa (eye worm) hypothetical protein 0.017 0.252 0.252
Echinococcus multilocularis tyrosine protein kinase HCK 0.0079 0.0448 0.0896
Brugia malayi Furin-like cysteine rich region family protein 0.0166 0.2421 0.2421
Echinococcus multilocularis casein kinase I delta 0.0113 0.1218 0.2435
Loa Loa (eye worm) hypothetical protein 0.017 0.252 0.252
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0308 0.0308
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0096 0.0829 0.1657
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0229 0.3863 0.7724
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0419 0.8157 0.8157
Brugia malayi hypothetical protein 0.017 0.252 0.252
Echinococcus granulosus protein kinase shaggy 0.0096 0.0829 0.1657
Echinococcus multilocularis Immunoglobulin 0.017 0.252 0.5039
Schistosoma mansoni tyrosine kinase 0.0077 0.0396 0.1025
Brugia malayi PAS domain containing protein 0.0149 0.2038 0.2038
Echinococcus multilocularis tyrosine protein kinase Blk 0.0093 0.0762 0.1523
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0106 0.1067 0.2134
Trichomonas vaginalis CK1 family protein kinase 0.0113 0.1218 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) TK protein kinase 0.0093 0.0762 0.0762
Giardia lamblia Kinase, CK1 Casein kinase 0.0113 0.1218 1
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.1218 0.3153
Echinococcus granulosus contactin 0.0109 0.1138 0.2276
Echinococcus multilocularis casein kinase I alpha 0.0113 0.1218 0.2435
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0106 0.1067 0.2134
Echinococcus granulosus tyrosine protein kinase otk 0.0109 0.1138 0.2276
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0109 0.1138 0.0949
Onchocerca volvulus 0.0167 0.244 0.4941
Schistosoma mansoni single-minded 0.0149 0.2038 0.5277
Echinococcus multilocularis casein kinase I gamma 0.0119 0.1363 0.2724
Schistosoma mansoni tyrosine kinase 0.0068 0.0196 0.0507
Onchocerca volvulus 0.011 0.116 0.1014
Trypanosoma cruzi casein kinase, putative 0.0113 0.1218 1
Echinococcus granulosus epidermal growth factor receptor 0.0166 0.2421 0.4841
Echinococcus multilocularis tyrosine protein kinase otk 0.0109 0.1138 0.2276
Brugia malayi protein-tyrosine kinase 0.0093 0.0762 0.0762
Mycobacterium ulcerans putative regulatory protein 0.011 0.116 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0109 0.1138 0.2276
Echinococcus multilocularis hemicentin 1 0.0109 0.1138 0.2276
Schistosoma mansoni roundabout 0.0109 0.1138 0.2947
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0096 0.0829 0.2146
Echinococcus granulosus casein kinase I delta 0.0113 0.1218 0.2435
Schistosoma mansoni tyrosine kinase 0.0099 0.0908 0.235
Echinococcus multilocularis tyrosine protein kinase Abl 0.0126 0.1518 0.3035
Loa Loa (eye worm) hypoxia-induced factor 1 0.0461 0.9121 0.9121
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0109 0.1138 0.2276
Echinococcus multilocularis casein kinase I delta 0.0113 0.1218 0.2435
Trichomonas vaginalis CK1 family protein kinase 0.0113 0.1218 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0899 0.0899
Schistosoma mansoni tyrosine kinase 0.0068 0.0196 0.0507
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0113 0.1218 0.1218
Echinococcus multilocularis transfer RNA-Lys 0.011 0.116 0.2319
Echinococcus granulosus tyrosine protein kinase HCK 0.0079 0.0448 0.0896
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0106 0.1067 0.2134
Echinococcus granulosus tyrosine protein kinase Src64B 0.0106 0.1067 0.2134
Echinococcus multilocularis roundabout 2 0.0109 0.1138 0.2276
Schistosoma mansoni cell adhesion molecule 0.0229 0.3863 1
Echinococcus multilocularis insulin receptor 0.0068 0.0196 0.0391
Loa Loa (eye worm) casein kinase 0.0115 0.1278 0.1278
Loa Loa (eye worm) TK/INSR protein kinase 0.0068 0.0196 0.0196
Echinococcus multilocularis tyrosine protein kinase Srms 0.0093 0.0762 0.1523
Echinococcus multilocularis casein kinase I alpha 0.0113 0.1218 0.2435
Echinococcus granulosus cyclin dependent kinase 7 0.0078 0.042 0.0841
Brugia malayi hypoxia-induced factor 1 0.0461 0.9121 0.9121
Echinococcus granulosus epidermal growth factor receptor 0.0099 0.0908 0.1815
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.1363 0.3527
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0106 0.1067 0.2134
Schistosoma mansoni septate junction protein 0.0109 0.1138 0.2947
Loa Loa (eye worm) hypothetical protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) hypothetical protein 0.017 0.252 0.252
Brugia malayi Peroxidasin 0.0109 0.1138 0.1138
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0096 0.0829 0.0829
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1138 0.1138
Echinococcus granulosus tyrosine kinase 0.0093 0.0762 0.1523
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0068 0.0196 0.0391
Schistosoma mansoni aryl hydrocarbon receptor 0.0149 0.2038 0.5277
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0106 0.1067 0.2134
Echinococcus granulosus insulin receptor 0.0068 0.0196 0.0391
Echinococcus multilocularis tyrosine protein kinase Src42A 0.007 0.025 0.05
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0113 0.1218 0.1218
Entamoeba histolytica protein kinase, putative 0.0096 0.0829 0.4948
Echinococcus granulosus tyrosine protein kinase Src42A 0.007 0.025 0.05
Trypanosoma cruzi casein kinase, putative 0.0113 0.1218 1
Schistosoma mansoni cell adhesion molecule 0.0109 0.1138 0.2947
Echinococcus granulosus casein kinase I alpha 0.0113 0.1218 0.2435
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0096 0.0829 0.1657
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0068 0.0196 0.0391
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1138 0.1138
Loa Loa (eye worm) hypothetical protein 0.0109 0.1138 0.1138
Echinococcus granulosus tyrosine protein kinase Lyn 0.011 0.1152 0.2303
Onchocerca volvulus 0.0109 0.1134 0.0934
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0073 0.0308 0.0615
Schistosoma mansoni serine/threonine protein kinase 0.0078 0.042 0.1088
Schistosoma mansoni tyrosine kinase 0.0077 0.0396 0.1025
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0109 0.1138 0.1138
Echinococcus granulosus twitchin 0.0224 0.3743 0.7484
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0236 0.4006 0.8009
Loa Loa (eye worm) hypothetical protein 0.0109 0.1138 0.1138
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0109 0.1138 0.2947
Schistosoma mansoni tyrosine kinase 0.0222 0.3692 0.9558

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.