Detailed information for compound 2069223

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.398 | Formula: C18H21FN6
  • H donors: 0 H acceptors: 3 LogP: 2.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)n1ccc(n1)CN1CCCCC1Cn1cncn1
  • InChi: 1S/C18H21FN6/c19-15-4-3-6-17(10-15)25-9-7-16(22-25)11-23-8-2-1-5-18(23)12-24-14-20-13-21-24/h3-4,6-7,9-10,13-14,18H,1-2,5,8,11-12H2
  • InChiKey: NEFOBUYVIIVZGW-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
Onchocerca volvulus 0.0078 0.1399 0.2045
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0014 0.0165 0.0121
Schistosoma mansoni serine/threonine protein kinase 0.0028 0.0438 0.0596
Trichomonas vaginalis glucosylceramidase, putative 0.034 0.6521 0.6509
Entamoeba histolytica MIR domain protein 0.0034 0.0549 0.1644
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.005 0.0015
Echinococcus granulosus RNA directed DNA polymerase 0.002 0.0277 0.0359
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.002 0.0277 0.0359
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0271 0.5172 0.7537
Loa Loa (eye worm) hypothetical protein 0.0212 0.4024 0.3997
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0021 0.0294 0.0251
Trypanosoma brucei glycosyl hydrolase-like protein 0.0011 0.01 0.0287
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0051 0.0016
Schistosoma mansoni rab6-interacting 0.001 0.0082 0.0074
Schistosoma mansoni rab6-interacting 0.001 0.0082 0.0074
Trichomonas vaginalis glucosylceramidase, putative 0.0358 0.6879 0.6868
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0107 0.0072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0151 0.2834 0.2809
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0465 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0165 0.013
Echinococcus granulosus geminin 0.0188 0.3547 0.5155
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0151 0.2834 0.2809
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0151 0.2834 0.2809
Trichomonas vaginalis glucosylceramidase, putative 0.0518 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0092 0.0058
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0014 0.0165 0.0195
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0465 0.0431
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0014 0.0165 0.0475
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0014 0.0165 0.0193
Brugia malayi hypothetical protein 0.001 0.0082 0.0038
Echinococcus granulosus microtubule associated protein 2 0.0357 0.6851 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0014 0.0165 0.0238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0051 0.0016
Treponema pallidum fructose-bisphosphate aldolase 0.0151 0.2834 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0518 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.3343 0.3313
Trichomonas vaginalis AGC family protein kinase 0.0016 0.019 0.0156
Brugia malayi Protein kinase c protein 2 0.0024 0.0354 0.0311
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0218 0.4135 0.4109
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0014 0.0165 0.0293
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0011 0.01 0.0065
Schistosoma mansoni alpha-glucosidase 0.0078 0.1399 0.2005
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0014 0.0165 0.0193
Trichomonas vaginalis AGC family protein kinase 0.0016 0.019 0.0156
Trichomonas vaginalis maltase-glucoamylase, putative 0.0011 0.01 0.0065
Echinococcus granulosus Protein kinase C brain isozyme 0.0028 0.0438 0.0596
Brugia malayi hypothetical protein 0.001 0.0082 0.0038
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0151 0.2834 1
Schistosoma mansoni hypothetical protein 0.0188 0.3547 0.5155
Loa Loa (eye worm) hypothetical protein 0.0011 0.01 0.0056
Echinococcus multilocularis ryanodine receptor 44f 0.0121 0.2242 0.3242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0092 0.0058
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.003 0.0465 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0096 0.1764 0.1727
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0465 0.1083
Trichomonas vaginalis glucosylceramidase, putative 0.0358 0.6879 0.6868
Trichomonas vaginalis glucosylceramidase, putative 0.034 0.6521 0.6509
Trichomonas vaginalis sucrase-isomaltase, putative 0.003 0.0465 0.0431
Echinococcus granulosus lipoxygenase domain containing protein 0.001 0.0082 0.0074
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0014 0.0165 0.0293
Echinococcus multilocularis stromal cell derived factor 2 0.0034 0.0549 0.0759
Echinococcus multilocularis protein kinase c epsilon type 0.0008 0.0044 0.0018
Loa Loa (eye worm) hypothetical protein 0.001 0.0082 0.0038
Echinococcus granulosus RUN 0.001 0.0082 0.0074
Brugia malayi Glycosyl hydrolases family 31 protein 0.0011 0.01 0.0056
Giardia lamblia Fructose-bisphosphate aldolase 0.0151 0.2834 1
Schistosoma mansoni polycystin 1-related 0.001 0.0082 0.0074
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0151 0.2834 0.2809
Echinococcus multilocularis RNA directed DNA polymerase 0.002 0.0277 0.0359
Trichomonas vaginalis glucosylceramidase, putative 0.034 0.6521 0.6509
Trichomonas vaginalis alpha-glucosidase, putative 0.0011 0.01 0.0065
Schistosoma mansoni alpha glucosidase 0.003 0.0465 0.0635
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0014 0.0165 0.0195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0092 0.0058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0107 0.0072
Trypanosoma brucei glucosidase, putative 0.003 0.0465 0.1339
Schistosoma mansoni loxhd1 0.001 0.0082 0.0074
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.019 0.0232
Schistosoma mansoni lipoxygenase 0.001 0.0082 0.0074
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0011 0.01 0.0065
Trichomonas vaginalis glucosylceramidase, putative 0.034 0.6521 0.6509
Trichomonas vaginalis mannosyltransferase 1, putative 0.0034 0.0549 0.0516
Schistosoma mansoni hypothetical protein 0.0188 0.3547 0.5155
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0011 0.0107 0.0034
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0151 0.2834 0.2809
Loa Loa (eye worm) MIR domain-containing protein 0.0034 0.0549 0.0507
Loa Loa (eye worm) hypothetical protein 0.0208 0.3945 0.3919
Onchocerca volvulus 0.0034 0.0549 0.0725
Brugia malayi MIR domain containing protein 0.0034 0.0549 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0092 0.0058
Echinococcus granulosus neutral alpha glucosidase AB 0.003 0.0465 0.0635
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0011 0.0107 0.0309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0092 0.0058
Echinococcus multilocularis lipoxygenase domain containing protein 0.001 0.0082 0.0074
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0074 0.1325 0.5
Brugia malayi cation channel family protein 0.0333 0.6383 0.6367
Echinococcus granulosus Polycystic kidney disease protein 0.001 0.0082 0.0074
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0096 0.1764 0.1727
Echinococcus granulosus lysosomal alpha glucosidase 0.0096 0.1764 0.254
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0066 0.0031
Trichomonas vaginalis alpha-glucosidase, putative 0.0011 0.01 0.0065
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0016 0.019 0.0232
Plasmodium falciparum LCCL domain-containing protein 0.001 0.0082 0.5
Loa Loa (eye worm) doublecortin family protein 0.001 0.0082 0.0038
Onchocerca volvulus Glucosylceramidase homolog 0.034 0.6521 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0277 0.0234
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0151 0.2834 0.2809
Echinococcus multilocularis serine threonine protein kinase 0.0025 0.0377 0.0507
Trichomonas vaginalis glucosylceramidase, putative 0.034 0.6521 0.6509
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0123 0.0089
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0016 0.019 0.0147
Echinococcus granulosus protein kinase C gamma type 0.0025 0.0377 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0165 0.013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0165 0.013
Trichomonas vaginalis AGC family protein kinase 0.0016 0.019 0.0156
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0007 0.0016 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0092 0.0058
Loa Loa (eye worm) hypothetical protein 0.0023 0.0337 0.0294
Plasmodium vivax multidomain scavenger receptor, putative 0.001 0.0082 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.003 0.0465 0.0431
Echinococcus granulosus lipoxygenase domain containing protein 0.001 0.0082 0.0074
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0107 0.0072
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0074 0.1325 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0465 0.0431
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0034 0.0549 0.0759
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0465 0.0431
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0014 0.0165 0.0238
Loa Loa (eye worm) hypothetical protein 0.0156 0.2924 0.2892
Echinococcus multilocularis lysosomal alpha glucosidase 0.0096 0.1764 0.254
Echinococcus multilocularis microtubule associated protein 2 0.0357 0.6851 1
Leishmania major hypothetical protein, conserved 0.0125 0.2321 1
Schistosoma mansoni ryanodine receptor related 0.0218 0.4135 0.6017
Loa Loa (eye worm) phosphatidylinositol 3 0.0014 0.0165 0.0121
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0465 0.1083
Trichomonas vaginalis glucosylceramidase, putative 0.0518 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.003 0.0465 0.0422
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0028 0.0438 0.0596
Echinococcus multilocularis ryanodine receptor 44f 0.0156 0.2924 0.4241
Echinococcus granulosus stromal cell derived factor 2 0.0034 0.0549 0.0759
Entamoeba histolytica protein kinase, putative 0.0016 0.019 0.0331
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.005 0.0015
Brugia malayi phosphoinositide-dependent protein kinase I 0.0016 0.019 0.0147
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.003 0.0465 0.1334
Echinococcus granulosus protein kinase c epsilon type 0.0008 0.0044 0.0018
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0151 0.2834 0.2809
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0465 0.0431
Trichomonas vaginalis maltase-glucoamylase, putative 0.003 0.0465 0.0431
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0518 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.003 0.0465 0.0635
Loa Loa (eye worm) hypothetical protein 0.001 0.0082 0.0038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0107 0.0072
Echinococcus multilocularis lipoxygenase domain containing protein 0.001 0.0082 0.0074
Trichomonas vaginalis glucosylceramidase, putative 0.034 0.6521 0.6509
Echinococcus multilocularis RUN 0.001 0.0082 0.0074
Brugia malayi Protein kinase domain containing protein 0.0016 0.019 0.0147
Echinococcus granulosus ryanodine receptor 44f 0.0121 0.2242 0.3242
Echinococcus multilocularis Polycystic kidney disease protein 0.001 0.0082 0.0074
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0014 0.0165 0.0475
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0107 0.0072
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.003 0.0465 0.0422
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.003 0.0465 0.1334
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0016 0.019 0.0147
Schistosoma mansoni microtubule-associated protein tau 0.0357 0.6851 1
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0184 0.3469 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0151 0.2834 1
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0011 0.01 0.0027
Echinococcus multilocularis lysosomal alpha glucosidase 0.0096 0.1764 0.254
Loa Loa (eye worm) ryanodine receptor 0.0059 0.1031 0.0991
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0074 0.1325 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0028 0.0438 0.0596
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0029 0.0441 0.06
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0029 0.0441 0.06
Schistosoma mansoni serine/threonine protein kinase 0.0008 0.0044 0.0018
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0014 0.0165 0.0195
Trichomonas vaginalis alpha-glucosidase, putative 0.0011 0.01 0.0065
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0059 0.1031 0.1466
Brugia malayi Doublecortin family protein 0.001 0.0082 0.0038
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.0072 0.0037
Trichomonas vaginalis alpha-glucosidase, putative 0.0011 0.01 0.0065
Echinococcus multilocularis geminin 0.0188 0.3547 0.5155
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0184 0.3469 1
Schistosoma mansoni lipoxygenase 0.0029 0.0441 0.06
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0092 0.0058
Trichomonas vaginalis alpha-glucosidase, putative 0.0011 0.01 0.0065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0051 0.0016
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.003 0.0465 0.0431
Trichomonas vaginalis glucosylceramidase, putative 0.0518 1 1
Leishmania major alpha glucosidase II subunit, putative 0.003 0.0465 0.1643
Schistosoma mansoni hypothetical protein 0.001 0.0082 0.0074
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0016 0.019 0.0232
Echinococcus granulosus ryanodine receptor 44f 0.0156 0.2924 0.4241
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0151 0.2834 0.2809
Schistosoma mansoni alpha-glucosidase 0.0078 0.1399 0.2005
Trypanosoma cruzi target of rapamycin kinase 3 0.0011 0.0107 0.0023
Trichomonas vaginalis glucosylceramidase, putative 0.034 0.6521 0.6509
Trichomonas vaginalis glucosylceramidase, putative 0.0518 1 1
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0177 0.3343 0.4855

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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