Detailed information for compound 2069267

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.336 | Formula: C14H20F3N5O2
  • H donors: 2 H acceptors: 3 LogP: 0.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1ncc(c1)C(=O)NCC1CCN(CC1)C(=O)NCC(F)(F)F
  • InChi: 1S/C14H20F3N5O2/c1-21-8-11(7-20-21)12(23)18-6-10-2-4-22(5-3-10)13(24)19-9-14(15,16)17/h7-8,10H,2-6,9H2,1H3,(H,18,23)(H,19,24)
  • InChiKey: DUZJMIBFZFCEJY-UHFFFAOYSA-N  

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
Plasmodium vivax protein kinase Crk2 0.003 0.0342 1
Leishmania major phosphatidylinositol-specific phospholipase-like protein 0.0022 0.0222 0.0522
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0077 0.1043 0.1648
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0069 0.0928 0.111
Brugia malayi Variant SH3 domain containing protein 0.0029 0.0334 0.0304
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0197 0.2123
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0011 0.0064 0.0132
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0037 0.0451 0.0972
Trichomonas vaginalis AGC family protein kinase 0.0022 0.022 0.2374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0298 0.3209
Loa Loa (eye worm) hypothetical protein 0.0022 0.0222 0.0351
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0034 0.0402 0.3993
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0272 0.2926
Echinococcus granulosus ryanodine receptor 44f 0.0316 0.4621 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0011 0.0064 0.002
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0014 0.0103 0.0089
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0272 0.2926
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0022 0.0222 0.0191
Trichomonas vaginalis AGC family protein kinase 0.0022 0.022 0.2374
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0039 0.047 0.0543
Trichomonas vaginalis 1-phosphatidylinositol phosphodiesterase, putative 0.0009 0.0031 0.0337
Trypanosoma brucei CYC2-like cyclin, putative 0.0018 0.0159 0.0236
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0549 0.8116 1
Loa Loa (eye worm) hypothetical protein 0.043 0.6331 1
Trichomonas vaginalis protein transport protein sec7, putative 0.0008 0.0011 0.0116
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.001 0.0041 0.0083
Brugia malayi phospholipase C homolog 0.0039 0.047 0.044
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0372 0.5468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0168 0.1807
Loa Loa (eye worm) Plcb4 protein 0.0051 0.0661 0.1044
Loa Loa (eye worm) hypothetical protein 0.0359 0.5272 0.8327
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0016 0.0134 0.0188
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0009 0.0031 0.0049
Echinococcus multilocularis cyclin dependent kinase 0.003 0.0342 0.0735
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0053 0.0681 0.1469
Entamoeba histolytica protein kinase, putative 0.0022 0.022 0.1918
Entamoeba histolytica MIR domain protein 0.0069 0.0928 1
Echinococcus granulosus Glutaredoxin protein 5 0.001 0.0041 0.0083
Loa Loa (eye worm) cytohesin 3 0.015 0.2132 0.3368
Brugia malayi cell division control protein 2 homolog 0.003 0.0342 0.0312
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0037 0.0451 0.0713
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.0234 0.2525
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0011 0.0052 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0064 0.0684
Brugia malayi Protein kinase domain containing protein 0.0022 0.022 0.019
Trypanosoma cruzi Protein kinase B 0.0017 0.0145 0.0171
Trypanosoma brucei cdc2-related kinase 1 0.003 0.0342 0.0571
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0077 0.1043 0.1015
Loa Loa (eye worm) phosphatidylinositol 3 0.0034 0.0402 0.0635
Loa Loa (eye worm) ryanodine receptor 0.0119 0.1678 0.265
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0029 0.0334 0.0528
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.003 0.0342 0.4545
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0011 0.0064 0.0088
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0011 0.0064 0.004
Onchocerca volvulus 0.0072 0.0972 0.648
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0034 0.0402 0.0865
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0034 0.0402 0.0646
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0034 0.0402 0.0682
Trichomonas vaginalis mannosyltransferase 1, putative 0.0069 0.0928 1
Schistosoma mansoni phospholipase C beta 0.0051 0.0661 0.0779
Plasmodium falciparum phosphoinositide-specific phospholipase C 0.0022 0.0222 0.5854
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0034 0.0402 0.0459
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0168 0.1807
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0194 0.2091
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0119 0.1678 0.2036
Trichomonas vaginalis AGC family protein kinase 0.0022 0.022 0.2374
Brugia malayi phospholipase C homolog 0.0014 0.0103 0.0072
Echinococcus granulosus nervana 2 0.001 0.0041 0.0083
Echinococcus granulosus nervana 2 0.001 0.0041 0.0083
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0034 0.0402 0.1016
Plasmodium falciparum protein kinase 5 0.003 0.0342 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0197 0.2123
Trichomonas vaginalis CMGC family protein kinase 0.003 0.0342 0.3684
Echinococcus granulosus serine/threonine protein kinase 0.0017 0.0145 0.0308
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0018 0.0159 0.2118
Trypanosoma brucei cyclin 2 0.0018 0.0159 0.0236
Echinococcus multilocularis cytohesin 1 0.015 0.2132 0.4612
Echinococcus multilocularis nervana 2 0.001 0.0041 0.0083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0328 0.353
Entamoeba histolytica PH domain containing protein kinase, putative 0.0017 0.0145 0.1055
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.001 0.0041 0.0083
Trichomonas vaginalis AGC family protein kinase 0.0022 0.022 0.2374
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0051 0.0661 0.0632
Brugia malayi p70 ribosomal S6 kinase beta 0.0016 0.0128 0.0097
Entamoeba histolytica protein kinase, putative 0.0016 0.0128 0.0863
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0064 0.0684
Echinococcus multilocularis Glutaredoxin protein 5 0.001 0.0041 0.0083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0272 0.2926
Giardia lamblia GTOR 0.0034 0.0402 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0014 0.0104 0.0134
Echinococcus multilocularis nervana 2 0.001 0.0041 0.0083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0167 0.1803
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.003 0.0342 0.0851
Loa Loa (eye worm) AGC/AKT protein kinase 0.0022 0.022 0.0348
Schistosoma mansoni guanyl-nucleotide exchange factor 0.015 0.2132 0.2599
Loa Loa (eye worm) hypothetical protein 0.0053 0.0681 0.1075
Entamoeba histolytica protein kinase, putative 0.0022 0.022 0.1918
Trypanosoma cruzi cdc2-related kinase 3 0.003 0.0342 0.0535
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0194 0.2091
Trypanosoma cruzi cdc2-related kinase 1 0.003 0.0342 0.0535
Schistosoma mansoni serine/threonine protein kinase 0.0037 0.0451 0.052
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0359 0.5272 0.6482
Echinococcus granulosus cytohesin 1 0.015 0.2132 0.4612
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0451 0.4862
Echinococcus granulosus cyclin dependent kinase 1 0.003 0.0342 0.0735
Leishmania major phospholipase c-like protein 0.0043 0.0533 0.1373
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0011 0.0064 0.0132
Schistosoma mansoni serine/threonine-protein kinase 0.0017 0.0145 0.014
Echinococcus multilocularis cyclin dependent kinase 1 0.003 0.0342 0.0735
Trichomonas vaginalis AGC family protein kinase 0.0022 0.022 0.2374
Brugia malayi MIR domain containing protein 0.0069 0.0928 0.09
Trypanosoma cruzi CYC2-like cyclin 4, putative 0.0018 0.0159 0.0197
Trichomonas vaginalis CMGC family protein kinase 0.003 0.0342 0.3684
Echinococcus granulosus cyclin dependent kinase 5 0.003 0.0342 0.0735
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0372 0.5468 1
Trypanosoma brucei phosphoinositide-specific phospholipase C 0.0043 0.0533 0.0922
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.003 0.0342 0.0735
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0298 0.3209
Trypanosoma cruzi cdc2-related kinase 3 0.003 0.0342 0.0535
Leishmania major phosphatidylinositol 3-kinase, putative 0.0011 0.0064 0.0088
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0027 0.0298 0.0731
Brugia malayi Protein kinase domain containing protein 0.0037 0.0451 0.0421
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0017 0.0145 0.0171
Entamoeba histolytica PH domain containing protein kinase, putative 0.0017 0.0145 0.1055
Trichomonas vaginalis protein transport protein sec7, putative 0.0008 0.0011 0.0116
Giardia lamblia Kinase, CMGC CDK 0.003 0.0342 0.8278
Trypanosoma brucei rac serine-threonine kinase, putative 0.0022 0.022 0.0348
Echinococcus granulosus ryanodine receptor 44f 0.0245 0.3561 0.7706
Echinococcus multilocularis rac serine:threonine kinase 0.0017 0.0145 0.0308
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0037 0.0451 0.0713
Toxoplasma gondii phosphoinositide phospholipase PIPLC 0.0057 0.0753 1
Loa Loa (eye worm) hypothetical protein 0.0316 0.4621 0.7298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0272 0.2926
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0034 0.0402 0.3993
Trichomonas vaginalis CMGC family protein kinase 0.003 0.0342 0.3684
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0034 0.0402 0.0372
Loa Loa (eye worm) hypothetical protein 0.0053 0.0681 0.1075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0402 0.4332
Entamoeba histolytica cell division protein kinase 2, putative 0.003 0.0342 0.3306
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0402 0.4332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0064 0.0684
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0011 0.0052 0.0108
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0027 0.0298 0.0491
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0451 0.4862
Giardia lamblia Kinase, CMGC CDK 0.003 0.0342 0.8278
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0441 0.6504 0.6493
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0272 0.2926
Onchocerca volvulus 0.0106 0.1482 1
Trichomonas vaginalis AGC family protein kinase 0.0022 0.022 0.2374
Trypanosoma cruzi target of rapamycin kinase 3 0.0027 0.0298 0.0454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0298 0.3209
Toxoplasma gondii target of rapamycin (TOR), putative 0.0025 0.0272 0.3609
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0342 0.0384
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0168 0.1807
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0168 0.1807
Entamoeba histolytica cell division protein kinase 2, putative 0.003 0.0342 0.3306
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0034 0.0402 0.0682
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.003 0.0342 0.054
Loa Loa (eye worm) phosphatidylinositol 3 0.0011 0.0064 0.01
Plasmodium falciparum cyclin, putative 0.0018 0.0159 0.3693
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0072 0.0778
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0016 0.0128 0.0202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0298 0.3209
Trypanosoma cruzi CYC2-like cyclin 6, putative 0.0018 0.0159 0.0197
Brugia malayi Protein kinase domain containing protein 0.003 0.0342 0.0312
Brugia malayi Cytohesin 3 0.015 0.2132 0.2108
Toxoplasma gondii AGC kinase 0.0016 0.0128 0.1702
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0011 0.0064 0.0059
Brugia malayi phosphoinositide-dependent protein kinase I 0.0037 0.0451 0.0421
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0037 0.0451 0.0972
Echinococcus multilocularis ryanodine receptor 44f 0.0245 0.3561 0.7706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0223 0.2407
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0342 0.0384
Leishmania major phosphoinositide-specific phospholipase C, putative 0.0041 0.0513 0.1318
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0451 0.4862
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0053 0.0681 0.1469
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0064 0.0684
Onchocerca volvulus 0.0069 0.0928 0.6182
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0011 0.0064 0.002
Schistosoma mansoni ryanodine receptor related 0.0441 0.6504 0.8006
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0034 0.0402 0.0865
Plasmodium vivax phospholipase C-like, putative 0.0022 0.0222 0.5854
Leishmania major hypothetical protein, conserved 0.0253 0.3683 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.003 0.0342 0.0851
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0159 0.1717
Plasmodium vivax cyclin, putative 0.0018 0.0159 0.3693
Loa Loa (eye worm) MIR domain-containing protein 0.0069 0.0928 0.1466
Echinococcus granulosus cyclin dependent kinase 0.003 0.0342 0.0735
Loa Loa (eye worm) hypothetical protein 0.0422 0.621 0.9808
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0029 0.0316
Echinococcus granulosus serine threonine protein kinase nrc 0.0011 0.0052 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0298 0.3209
Schistosoma mansoni serine/threonine-protein kinase 0.0017 0.0145 0.014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0064 0.0684
Trichomonas vaginalis guanyl-nucleotide exchange factor, putative 0.0008 0.0011 0.0116
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.003 0.0342 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0272 0.2926
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0167 0.1803
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0064 0.0032
Echinococcus multilocularis cyclin dependent kinase 5 0.003 0.0342 0.0735
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0011 0.0064 0.0059
Echinococcus multilocularis cyclin dependent kinase 1 0.003 0.0342 0.0735
Echinococcus granulosus stromal cell derived factor 2 0.0069 0.0928 0.2005
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0034 0.0402 0.1016
Leishmania major CYC2-like cyclin, putative 0.0018 0.0159 0.0351
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0167 0.1803
Trypanosoma cruzi CYC2-like cyclin, putative 0.0018 0.0159 0.0197
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.003 0.0342 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0197 0.2123
Trypanosoma brucei cdc2-related kinase 3 0.003 0.0342 0.0571
Loa Loa (eye worm) hypothetical protein 0.0029 0.033 0.0522
Toxoplasma gondii cyclin2 related protein 0.0018 0.0159 0.2118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0272 0.2926
Trichomonas vaginalis 1-phosphatidylinositol phosphodiesterase, putative 0.0009 0.0031 0.0337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0402 0.4332
Trypanosoma cruzi cdc2-related kinase 1 0.003 0.0342 0.0535
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0034 0.0402 0.0646
Echinococcus multilocularis stromal cell derived factor 2 0.0069 0.0928 0.2005
Echinococcus multilocularis ryanodine receptor 44f 0.0316 0.4621 1
Entamoeba histolytica protein kinase, putative 0.0037 0.0451 0.4554
Trichomonas vaginalis AGC family protein kinase 0.0022 0.022 0.2374
Trypanosoma cruzi phosphoinositide-specific phospholipase C, putative 0.0043 0.0533 0.0887

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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