Detailed information for compound 449592

Basic information

Technical information
  • TDR Targets ID: 449592
  • Name: 2-(azepan-1-yl)-6-[(2,6-difluorophenyl)methyl ]-1H-pyrimidin-4-one
  • MW: 319.349 | Formula: C17H19F2N3O
  • H donors: 1 H acceptors: 1 LogP: 2.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1Cc1nc([nH]c(=O)c1)N1CCCCCC1)F
  • InChi: 1S/C17H19F2N3O/c18-14-6-5-7-15(19)13(14)10-12-11-16(23)21-17(20-12)22-8-3-1-2-4-9-22/h5-7,11H,1-4,8-10H2,(H,20,21,23)
  • InChiKey: RCWHAXQWQUNJOP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1-azepanyl)-6-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-4-one
  • 2-(azepan-1-yl)-6-(2,6-difluorobenzyl)-1H-pyrimidin-4-one

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
Entamoeba histolytica cell division protein kinase 2, putative 0.009 0.4001 0.5821
Echinococcus granulosus NDR protein kinase 0.0073 0.3126 0.4287
Giardia lamblia Kinase, AGC AKT 0.0089 0.3925 0.8665
Echinococcus multilocularis serine:threonine protein kinase N2 0.0073 0.3126 0.4287
Echinococcus multilocularis protein kinase c iota type 0.0086 0.3804 0.5216
Loa Loa (eye worm) hypothetical protein 0.0018 0.0429 0.0427
Brugia malayi GCC2 and GCC3 family protein 0.0013 0.0194 0.0289
Echinococcus granulosus Protein kinase C brain isozyme 0.0128 0.583 0.7995
Trichomonas vaginalis AGC family protein kinase 0.0146 0.6734 1
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0018 0.0412 0.0565
Entamoeba histolytica diacylglycerol kinase, putative 0.0014 0.0224 0.0046
Echinococcus granulosus RNA directed DNA polymerase 0.004 0.1511 0.2072
Schistosoma mansoni serine/threonine protein kinase 0.0015 0.0307 0.0421
Trichomonas vaginalis AGC family protein kinase 0.0077 0.3331 0.237
Echinococcus multilocularis myotubularin protein 13 0.0018 0.0429 0.0588
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0015 0.0287 0.0393
Echinococcus multilocularis protein kinase shaggy 0.0101 0.4499 0.617
Echinococcus granulosus tyrosine protein kinase Fyn 0.0039 0.1452 0.1991
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0018 0.0436 0.0598
Giardia lamblia Kinase, CMGC CDK 0.009 0.4001 0.8842
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.3126 0.4287
Echinococcus granulosus endonuclease reverse transcriptase 0.0013 0.0194 0.0267
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0073 0.3162 0.6893
Echinococcus multilocularis nervana 2 0.0069 0.295 0.4045
Echinococcus multilocularis protein kinase c eta type 0.0014 0.0224 0.0308
Loa Loa (eye worm) hypothetical protein 0.0013 0.0194 0.0193
Brugia malayi SRC-1 0.0039 0.1452 0.2157
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0068 0.2914 0.1437
Loa Loa (eye worm) hypothetical protein 0.0028 0.093 0.0929
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0039 0.1452 0.1991
Schistosoma mansoni protein kinase C 0.0015 0.0287 0.0393
Echinococcus multilocularis cyclin dependent kinase 1 0.009 0.4001 0.5486
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0018 0.0436 0.0598
Brugia malayi Protein kinase domain containing protein 0.0146 0.6734 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0429 0.0427
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.2274 0.483
Trichomonas vaginalis CMGC family protein kinase 0.009 0.4001 0.3873
Trichomonas vaginalis AGC family protein kinase 0.0073 0.3126 0.1912
Echinococcus granulosus protein kinase c eta type 0.0014 0.0224 0.0308
Echinococcus granulosus nervana 2 0.0069 0.295 0.4045
Loa Loa (eye worm) hypothetical protein 0.0013 0.0194 0.0193
Echinococcus granulosus protein kinase shaggy 0.0101 0.4499 0.617
Echinococcus multilocularis N chimaerin 0.0018 0.0412 0.0565
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0073 0.3126 0.4287
Echinococcus granulosus ephrin type A receptor 4 A 0.007 0.2995 0.4107
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0039 0.1452 0.1991
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0078 0.3366 0.4908
Echinococcus multilocularis tyrosine protein kinase HCK 0.0031 0.1082 0.1484
Plasmodium vivax protein kinase Crk2 0.009 0.4001 0.8842
Echinococcus granulosus cyclin dependent kinase 5 0.009 0.4001 0.5486
Echinococcus granulosus unc 13 munc13 0.0015 0.0287 0.0393
Brugia malayi Hr1 repeat family protein 0.0073 0.3126 0.4643
Entamoeba histolytica PH domain containing protein kinase, putative 0.0078 0.3366 0.485
Echinococcus granulosus cyclin dependent kinase 0.009 0.4001 0.5486
Loa Loa (eye worm) hypothetical protein 0.0086 0.3789 0.3788
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.009 0.4001 0.4
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0018 0.0412 0.0565
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.3126 0.4287
Brugia malayi Protein kinase c protein 2 0.0059 0.2463 0.3657
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0035 0.1269 0.1741
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0073 0.3126 0.3125
Giardia lamblia Kinase, CMGC GSK 0.0101 0.4499 1
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0014 0.0224 0.0223
Schistosoma mansoni serine/threonine protein kinase 0.0128 0.583 0.7995
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.009 0.4001 0.776
Entamoeba histolytica protein kinase, putative 0.0101 0.4499 0.6583
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.2274 0.3118
Loa Loa (eye worm) TK protein kinase 0.0035 0.1269 0.1268
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0073 0.3126 0.4287
Loa Loa (eye worm) hypothetical protein 0.0055 0.2265 0.2264
Entamoeba histolytica hypothetical protein 0.0014 0.0224 0.0046
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0073 0.3162 0.4336
Brugia malayi RhoGAP domain containing protein 0.0018 0.0412 0.0612
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0101 0.4499 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0018 0.0436 0.0435
Schistosoma mansoni vav2 0.0022 0.0616 0.0845
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0069 0.295 0.4045
Echinococcus multilocularis cyclin dependent kinase 0.009 0.4001 0.5486
Brugia malayi Ras association domain family 1 isoform A 0.0014 0.0224 0.0333
Loa Loa (eye worm) hypothetical protein 0.0153 0.7098 0.7098
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0101 0.4499 0.6796
Echinococcus granulosus raf serine:threonine protein kinase 0.0015 0.0307 0.0421
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0436 0.0598
Loa Loa (eye worm) hypothetical protein 0.0014 0.0224 0.0223
Entamoeba histolytica protein kinase domain containing protein 0.0101 0.4499 0.6583
Entamoeba histolytica protein kinase, putative 0.0146 0.6734 1
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.4499 0.4991
Entamoeba histolytica PH domain containing protein kinase, putative 0.0078 0.3366 0.485
Brugia malayi p70 ribosomal S6 kinase beta 0.0142 0.6529 0.9696
Trichomonas vaginalis AGC family protein kinase 0.0146 0.6734 1
Schistosoma mansoni unc-13 (munc13) 0.0015 0.0287 0.0393
Brugia malayi protein kinase C3,putative 0.0018 0.0436 0.0648
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.2274 0.3118
Schistosoma mansoni tyrosine kinase 0.0039 0.1452 0.1991
Entamoeba histolytica protein kinase 2, putative 0.0073 0.3162 0.4538
Loa Loa (eye worm) hypothetical protein 0.0014 0.0224 0.0223
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0018 0.0436 0.0435
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0101 0.4499 0.4499
Echinococcus granulosus protein kinase c epsilon type 0.0088 0.3866 0.5302
Loa Loa (eye worm) hypothetical protein 0.0013 0.0194 0.0193
Loa Loa (eye worm) RasGEF domain-containing protein 0.0014 0.0224 0.0223
Trypanosoma cruzi Protein kinase B 0.0078 0.3366 0.4908
Entamoeba histolytica protein kinase, putative 0.0073 0.3126 0.4484
Schistosoma mansoni serine/threonine protein kinase 0.0157 0.7292 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0035 0.1269 0.1741
Loa Loa (eye worm) hypothetical protein 0.014 0.6421 0.642
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0073 0.3162 0.4336
Trichomonas vaginalis AGC family protein kinase 0.0146 0.6734 1
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.3126 0.4287
Brugia malayi C1-like domain containing protein 0.0018 0.0436 0.0648
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.009 0.4001 0.6009
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.2274 0.3118
Echinococcus granulosus tyrosine protein kinase HCK 0.0031 0.1082 0.1484
Loa Loa (eye worm) TK protein kinase 0.0031 0.1082 0.1081
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.2274 0.3118
Entamoeba histolytica protein kinase, putative 0.0017 0.0406 0.0324
Echinococcus granulosus N chimaerin 0.0018 0.0412 0.0565
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.2274 0.3118
Onchocerca volvulus 0.014 0.6421 1
Echinococcus multilocularis cyclin dependent kinase 5 0.009 0.4001 0.5486
Echinococcus granulosus tyrosine protein kinase Blk 0.0035 0.1269 0.1741
Echinococcus multilocularis cyclin dependent kinase 1 0.009 0.4001 0.5486
Loa Loa (eye worm) AGC/PKN protein kinase 0.0073 0.3126 0.3125
Plasmodium falciparum glycogen synthase kinase 3 0.0101 0.4499 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0069 0.295 0.4045
Plasmodium falciparum protein kinase 5 0.009 0.4001 0.8842
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0045 0.1785 0.1784
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0157 0.7292 1
Giardia lamblia Kinase, AGC PKA 0.0073 0.3162 0.6893
Echinococcus granulosus nervana 2 0.0069 0.295 0.4045
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0039 0.1452 0.1991
Trichomonas vaginalis AGC family protein kinase 0.0146 0.6734 1
Schistosoma mansoni serine/threonine-protein kinase 0.0078 0.3366 0.4616
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0093 0.4129 0.8337
Entamoeba histolytica protein kinase domain containing protein 0.0101 0.4499 0.6583
Loa Loa (eye worm) hypothetical protein 0.014 0.6421 0.642
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0073 0.3126 0.4287
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0014 0.0224 0.0223
Schistosoma mansoni unc-13 (munc13) 0.0015 0.0287 0.0393
Plasmodium vivax glycogen synthase kinase 3, putative 0.0101 0.4499 1
Schistosoma mansoni hypothetical protein 0.0013 0.0194 0.0267
Echinococcus granulosus Rac GTPase activating protein 1 0.0014 0.0224 0.0308
Brugia malayi diacylglycerol kinase 0.0014 0.0224 0.0333
Schistosoma mansoni rac gtpase activating protein 0.0014 0.0224 0.0308
Schistosoma mansoni ephrin receptor 0.0057 0.2348 0.3219
Trichomonas vaginalis AGC family protein kinase 0.0073 0.3126 0.1912
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0101 0.4499 0.4499
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0018 0.0436 0.0648
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0073 0.3126 0.3125
Brugia malayi Protein kinase domain containing protein 0.009 0.4001 0.5942
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0157 0.7292 1
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.4499 0.4991
Brugia malayi diacylglycerol kinase 0.0014 0.0224 0.0333
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0001 0.0002
Brugia malayi MAP kinase sur-1 0.0055 0.2274 0.3377
Trichomonas vaginalis AGC family protein kinase 0.0073 0.3126 0.1912
Schistosoma mansoni serine/threonine kinase 0.0073 0.3126 0.4287
Loa Loa (eye worm) hypothetical protein 0.0014 0.0224 0.0223
Echinococcus multilocularis serine threonine protein kinase 0.0114 0.5153 0.7066
Giardia lamblia Kinase, CMGC CDK 0.009 0.4001 0.8842
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0039 0.1452 0.1991
Echinococcus multilocularis Diacylglycerol kinase theta 0.0014 0.0224 0.0308
Brugia malayi Protein kinase domain containing protein 0.0018 0.0436 0.0648
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0039 0.1452 0.1991
Schistosoma mansoni tyrosine kinase 0.0039 0.1452 0.1991
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0018 0.0412 0.0565
Echinococcus granulosus myotubularin protein 13 0.0018 0.0429 0.0588
Loa Loa (eye worm) hypothetical protein 0.0015 0.0287 0.0286
Brugia malayi protein-tyrosine kinase 0.0035 0.1269 0.1885
Echinococcus multilocularis unc 13 (munc13) 0.0015 0.0287 0.0393
Brugia malayi Pleckstrin Homology Domain 0.0018 0.0429 0.0637
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0088 0.3866 0.3865
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0128 0.583 0.7995
Loa Loa (eye worm) AGC/AKT protein kinase 0.0146 0.6734 0.6733
Loa Loa (eye worm) hypothetical protein 0.0014 0.0224 0.0223
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0039 0.1452 0.1991
Echinococcus granulosus Glutaredoxin protein 5 0.0069 0.295 0.4045
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0101 0.4499 0.617
Echinococcus multilocularis raf serine:threonine protein kinase 0.0015 0.0307 0.0421
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0039 0.1452 0.1991
Brugia malayi GCC2 and GCC3 family protein 0.0013 0.0194 0.0289
Echinococcus multilocularis endonuclease reverse transcriptase 0.0013 0.0194 0.0267
Echinococcus multilocularis protein kinase c epsilon type 0.0088 0.3866 0.5302
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0018 0.0412 0.041
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.3866 0.5302
Schistosoma mansoni serine/threonine protein kinase 0.009 0.4001 0.5486
Trichomonas vaginalis CMGC family protein kinase 0.009 0.4001 0.3873
Loa Loa (eye worm) hypothetical protein 0.0013 0.0194 0.0193
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0033 0.1187 0.1627
Toxoplasma gondii AGC kinase 0.0142 0.6529 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0073 0.3126 0.3125
Echinococcus granulosus serine/threonine protein kinase 0.0078 0.3366 0.4616
Brugia malayi GCC2 and GCC3 family protein 0.0013 0.0194 0.0289
Echinococcus multilocularis nervana 2 0.0069 0.295 0.4045
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0101 0.4499 0.617
Echinococcus granulosus tyrosine kinase 0.0035 0.1269 0.1741
Entamoeba histolytica protein kinase, putative 0.0146 0.6734 1
Entamoeba histolytica cell division protein kinase 2, putative 0.009 0.4001 0.5821
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.009 0.4001 0.4
Echinococcus multilocularis serine:threonine protein kinase N2 0.0073 0.3126 0.4287
Brugia malayi Protein kinase domain containing protein 0.0073 0.3126 0.4643
Trypanosoma cruzi cdc2-related kinase 1 0.009 0.4001 0.776
Trypanosoma brucei cdc2-related kinase 1 0.009 0.4001 0.3873
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0436 0.0598
Schistosoma mansoni protein kinase C mu 0.0014 0.0224 0.0308
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.004 0.1511 0.2072
Loa Loa (eye worm) hypothetical protein 0.0014 0.0224 0.0223
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0073 0.3162 0.6893
Onchocerca volvulus 0.0018 0.0429 0.0376
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0089 0.3925 0.5829
Echinococcus multilocularis Glutaredoxin protein 5 0.0069 0.295 0.4045
Schistosoma mansoni serine/threonine protein kinase 0.0128 0.583 0.7995
Brugia malayi cell division control protein 2 homolog 0.009 0.4001 0.5942
Loa Loa (eye worm) SRC-1 0.0039 0.1452 0.1451
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0157 0.7292 0.7292
Giardia lamblia Kinase, CMGC GSK 0.0101 0.4499 1
Loa Loa (eye worm) hypothetical protein 0.004 0.1511 0.151
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0039 0.1452 0.1991
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0039 0.1452 0.1991
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0039 0.1452 0.1991
Echinococcus granulosus tyrosine protein kinase Src42A 0.0039 0.1452 0.1991
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.009 0.4001 0.4
Echinococcus multilocularis rac serine:threonine kinase 0.0078 0.3366 0.4616
Schistosoma mansoni diacylglycerol kinase theta 0.0014 0.0224 0.0308
Loa Loa (eye worm) hypothetical protein 0.0054 0.2188 0.2187
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.009 0.4001 0.776
Schistosoma mansoni serine/threonine-protein kinase 0.0078 0.3366 0.4616
Brugia malayi RhoGEF domain containing protein 0.0014 0.0224 0.0333
Echinococcus granulosus protein kinase C gamma type 0.0114 0.5153 0.7066
Brugia malayi ephrin receptor 1 precursor 0.0028 0.0911 0.1352
Onchocerca volvulus 0.0055 0.2265 0.3325
Echinococcus multilocularis Rac GTPase activating protein 1 0.0014 0.0224 0.0308
Echinococcus granulosus serine:threonine protein kinase N2 0.0073 0.3126 0.4287
Echinococcus granulosus protein kinase c iota type 0.0086 0.3804 0.5216
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.009 0.4001 0.5486
Echinococcus granulosus tyrosine protein kinase Src42A 0.0033 0.1187 0.1627
Trypanosoma cruzi cdc2-related kinase 3 0.009 0.4001 0.776
Entamoeba histolytica protein kinase, putative 0.0031 0.1082 0.1357
Trichomonas vaginalis CMGC family protein kinase 0.009 0.4001 0.3873
Brugia malayi RhoGAP domain containing protein 0.0014 0.0224 0.0333
Echinococcus granulosus Diacylglycerol kinase theta 0.0014 0.0224 0.0308
Brugia malayi GCC2 and GCC3 family protein 0.0013 0.0194 0.0289
Echinococcus granulosus tyrosine protein kinase Fyn 0.0039 0.1452 0.1991
Loa Loa (eye worm) hypothetical protein 0.0014 0.0224 0.0223
Trypanosoma brucei rac serine-threonine kinase, putative 0.0146 0.6734 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0101 0.4499 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0101 0.4499 0.617
Onchocerca volvulus 0.0101 0.4499 0.6914
Entamoeba histolytica diacylglycerol kinase, putative 0.0014 0.0224 0.0046
Echinococcus multilocularis RNA directed DNA polymerase 0.004 0.1511 0.2072
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0073 0.3126 0.4287
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.2274 0.2273
Loa Loa (eye worm) hypothetical protein 0.014 0.6421 0.642
Schistosoma mansoni diacylglycerol kinase theta 0.0014 0.0224 0.0308
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0142 0.6529 0.6529
Brugia malayi Protein kinase domain containing protein 0.0073 0.3126 0.4643
Echinococcus granulosus cyclin dependent kinase 1 0.009 0.4001 0.5486
Trypanosoma brucei protein kinase, putative 0.0101 0.4499 0.4991
Trichomonas vaginalis AGC family protein kinase 0.0146 0.6734 1
Loa Loa (eye worm) raf kinase 0.0014 0.0224 0.0223
Trypanosoma cruzi cdc2-related kinase 3 0.009 0.4001 0.776
Trichomonas vaginalis AGC family protein kinase 0.0146 0.6734 1
Brugia malayi protein kinase C II. 0.0088 0.3866 0.5742
Loa Loa (eye worm) TK/EPH protein kinase 0.0072 0.3093 0.3092
Schistosoma mansoni hypothetical protein 0.0014 0.0224 0.0308
Entamoeba histolytica protein kinase, putative 0.0142 0.6529 0.9687
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0073 0.3162 0.399
Trypanosoma brucei cdc2-related kinase 3 0.009 0.4001 0.3873
Echinococcus granulosus serine threonine protein kinase nrc 0.0073 0.3162 0.4336
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0039 0.1452 0.1991
Loa Loa (eye worm) hypothetical protein 0.0014 0.0224 0.0223
Toxoplasma gondii diacylglycerol kinase, putative 0.0014 0.0224 0.0047
Schistosoma mansoni serine/threonine protein kinase 0.009 0.4001 0.5486
Echinococcus granulosus tyrosine protein kinase Fyn 0.0039 0.1452 0.1991
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0018 0.0412 0.0565
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.2274 0.3282
Echinococcus multilocularis ephrin type A receptor 4 A 0.007 0.2995 0.4107
Trypanosoma cruzi cdc2-related kinase 1 0.009 0.4001 0.776
Schistosoma mansoni atypical protein kinase C 0.0086 0.3804 0.5216
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0015 0.0287 0.0393
Brugia malayi Variant SH3 domain containing protein 0.0018 0.0412 0.0612
Brugia malayi intracellular kinase 0.0101 0.4499 0.6682
Onchocerca volvulus 0.0015 0.0287 0.0148
Schistosoma mansoni protein kinase C mu 0.0018 0.0436 0.0598
Echinococcus granulosus tyrosine protein kinase Lyn 0.0043 0.1664 0.2282
Echinococcus granulosus tyrosine protein kinase Src64B 0.0039 0.1452 0.1991
Trichomonas vaginalis AGC family protein kinase 0.0146 0.6734 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0035 0.1269 0.1741
Echinococcus multilocularis serine:threonine protein kinase 38 0.0073 0.3126 0.4287
Onchocerca volvulus 0.0014 0.0224 0.0048
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0035 0.1269 0.1741

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 78 uM Cytotoxicity against MT4 cells after 4 days by MTT method ChEMBL. 17910429
CC50 (ADMET) > 78 uM Cytotoxicity against MT4 cells after 4 days by MTT method ChEMBL. 17910429
EC50 (functional) = 0.022 uM Antiviral activity against HIV1 NL43 in MT4 cells assessed as inhibition of viral induced cytopathic effect after 4 days by MTT method ChEMBL. 17910429
EC50 (functional) = 0.43 uM Antiviral activity against HIV1 with reverse transcriptase Y181C mutation in MT4 cells assessed as inhibition of viral induced cytopathic effect by MTT method ChEMBL. 17910429
EC50 (functional) = 1.4 uM Antiviral activity against HIV1 with reverse transcriptase IRLL98 mutation in MT4 cells assessed as inhibition of viral induced cytopathic effect by MTT method ChEMBL. 17910429
EC50 (functional) > 10 uM Antiviral activity against HIV1 with reverse transcriptase K103N mutation in MT4 cells assessed as inhibition of viral induced cytopathic effect by MTT method ChEMBL. 17910429
EC50 (functional) > 10 uM Antiviral activity against HIV1 with reverse transcriptase Y188L mutation in MT4 cells assessed as inhibition of viral induced cytopathic effect by MTT method ChEMBL. 17910429
Ratio CC50/EC50 (functional) > 3545 Selectivity index, ratio of CC50 for MT4 cells to EC50 for HIV1 NL43 infected MT4 cells ChEMBL. 17910429
Ratio EC50 (functional) = 19 Resistance index, Ratio of EC50 for drug-resistant HIV1 with RT Y181C mutation in MT3 cells to EC50 for HIV1 NL43 in MT3 cells ChEMBL. 17910429
Ratio EC50 (functional) = 64 Resistance index, Ratio of EC50 for drug-resistant HIV1 with RT IRLL98 mutation in MT3 cells to EC50 for HIV1 NL43 in MT3 cells ChEMBL. 17910429

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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