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

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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