Detailed information for compound 1403652

Basic information

Technical information
  • TDR Targets ID: 1403652
  • Name: 3-(4-bromo-3-methylphenyl)-2-(2-thiophen-2-yl ethenyl)quinazolin-4-one
  • MW: 423.326 | Formula: C21H15BrN2OS
  • H donors: 0 H acceptors: 1 LogP: 5.29 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1C)n1c(/C=C/c2cccs2)nc2c(c1=O)cccc2
  • InChi: 1S/C21H15BrN2OS/c1-14-13-15(8-10-18(14)22)24-20(11-9-16-5-4-12-26-16)23-19-7-3-2-6-17(19)21(24)25/h2-13H,1H3/b11-9+
  • InChiKey: ZCBLKAIFPWUUET-PKNBQFBNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-bromo-3-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
  • 3-(4-bromo-3-methyl-phenyl)-2-[2-(2-thienyl)vinyl]quinazolin-4-one
  • 3-(4-bromo-3-methyl-phenyl)-2-[(E)-2-(2-thienyl)vinyl]quinazolin-4-one
  • 3-(4-bromo-3-methylphenyl)-2-[(E)-2-(2-thienyl)vinyl]-4-quinazolinone
  • 3-(4-bromo-3-methylphenyl)-2-[2-(2-thienyl)vinyl]-4-quinazolinone
  • 3-(4-bromo-3-methyl-phenyl)-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
  • 3-(4-bromo-3-methyl-phenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one
  • EU-0095531
  • K505-0230
  • NCGC00139351-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0089 0.1649 0.9546
Echinococcus multilocularis protein kinase c iota type 0.0049 0.0724 0.0801
Schistosoma mansoni serine/threonine kinase 0.0035 0.0396 0.0801
Loa Loa (eye worm) hypothetical protein 0.0035 0.0396 0.0365
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0089 0.1649 0.1622
Echinococcus granulosus nervana 2 0.0047 0.0673 0.0745
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0396 0.0801
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0431 0.0662
Echinococcus granulosus c-Jun N-terminal kinases 0.0231 0.4944 0.5472
Loa Loa (eye worm) hypothetical protein 0.0094 0.1761 0.1734
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0161 0.3315 0.3669
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0724 0.1464
Loa Loa (eye worm) hypothetical protein 0.0032 0.0318 0.0287
Entamoeba histolytica protein kinase, putative 0.0052 0.0782 0.4333
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3572 0.6269
Loa Loa (eye worm) hypothetical protein 0.006 0.0967 0.0938
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0077 0.1375 0.1522
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0049 0.0724 0.0694
Echinococcus granulosus serine:threonine protein kinase PAK 1 0.0021 0.0075 0.0083
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3572 0.6269
Echinococcus granulosus serine/threonine protein kinase 0.0054 0.084 0.093
Echinococcus granulosus protein kinase c iota type 0.0049 0.0724 0.0801
Trichomonas vaginalis CMGC family protein kinase 0.0089 0.1649 0.2837
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0161 0.3324 0.3303
Echinococcus multilocularis nervana 2 0.0047 0.0673 0.0745
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0161 0.3324 0.3679
Schistosoma mansoni protein kinase 0.0042 0.0551 0.1114
Echinococcus multilocularis zinc finger protein 0.0024 0.0132 0.0146
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0093 0.1727 0.17
Brugia malayi protein kinase C II. 0.0049 0.0724 0.0694
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0089 0.1649 0.1825
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0089 0.1649 0.1622
Entamoeba histolytica protein kinase domain containing protein 0.0052 0.0782 0.4333
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0052 0.0794 0.0094
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0093 0.1727 1
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0042 0.0551 0.061
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0262 0.5663 0.5649
Trypanosoma cruzi cdc2-related kinase 3 0.0089 0.1649 0.9546
Giardia lamblia Kinase, NEK 0.0106 0.2042 1
Giardia lamblia Kinase, CMGC GSK 0.0052 0.0782 0.155
Schistosoma mansoni serine/threonine protein kinase 0.0148 0.3014 0.6095
Echinococcus multilocularis protein kinase shaggy 0.0052 0.0782 0.0865
Brugia malayi Protein kinase domain 0.0042 0.0551 0.052
Echinococcus granulosus serine threonine protein kinase nrc 0.0052 0.0794 0.0878
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0161 0.3324 0.9111
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3572 0.6269
Echinococcus granulosus dual specificity 0.0093 0.1727 0.1911
Trichomonas vaginalis AGC family protein kinase 0.0084 0.1532 0.2629
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0042 0.0551 0.061
Trichomonas vaginalis AGC family protein kinase 0.0084 0.1532 0.2629
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0035 0.0396 0.0438
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3572 0.6269
Trichomonas vaginalis CMGC family protein kinase 0.0089 0.1649 0.2837
Plasmodium falciparum protein kinase 5 0.0089 0.1649 0.6882
Loa Loa (eye worm) hypothetical protein 0.008 0.1433 0.1405
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0035 0.0396 0.0365
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0052 0.0794 0.0878
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0195 0.0395
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0061 0.0123
Schistosoma mansoni protein kinase 0.0042 0.0551 0.1114
Loa Loa (eye worm) hypothetical protein 0.0037 0.0431 0.04
Loa Loa (eye worm) hypothetical protein 0.0087 0.1606 0.158
Brugia malayi Protein kinase domain containing protein 0.0093 0.1727 0.17
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.1649 0.3335
Entamoeba histolytica PH domain containing protein kinase, putative 0.0054 0.084 0.4684
Loa Loa (eye worm) AGC/NDR protein kinase 0.0035 0.0396 0.0365
Entamoeba histolytica protein kinase, putative 0.0084 0.1532 0.8834
Trichomonas vaginalis AGC family protein kinase 0.0106 0.2042 0.3538
Echinococcus granulosus protein kinase C gamma type 0.0035 0.0396 0.0438
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.5663 1
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0026 0.0195 0.0164
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.5663 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0035 0.0396 0.0438
Echinococcus multilocularis ephrin type A receptor 4 A 0.0066 0.1114 0.1233
Echinococcus granulosus Protein kinase C brain isozyme 0.0049 0.0724 0.0801
Loa Loa (eye worm) hypothetical protein 0.0046 0.0657 0.0627
Entamoeba histolytica protein kinase, putative 0.0035 0.0396 0.2019
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0052 0.0782 0.0752
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0967 0.1957
Brugia malayi Protein kinase domain containing protein 0.0161 0.3324 0.3303
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0061 0.0068
Schistosoma mansoni protein kinase C mu 0.0099 0.1881 0.3805
Trypanosoma cruzi p21-activated kinase 3, putative 0.0026 0.0195 0.107
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0052 0.0782 0.0752
Trypanosoma cruzi Protein kinase B 0.0054 0.084 0.4831
Entamoeba histolytica protein kinase domain containing protein 0.0093 0.1727 1
Schistosoma mansoni serine/threonine protein kinase 0.0077 0.1375 0.2781
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0782 0.1289
Brugia malayi Protein kinase domain containing protein 0.0084 0.1532 0.1505
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.5663 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0215 0.0237
Giardia lamblia Kinase, NEK 0.0106 0.2042 1
Brugia malayi Bromodomain containing protein 0.0091 0.1682 0.1655
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0724 0.1464
Entamoeba histolytica protein kinase, putative 0.0023 0.0106 0.028
Loa Loa (eye worm) AGC/AKT protein kinase 0.0084 0.1532 0.1505
Onchocerca volvulus 0.0148 0.3014 0.7998
Brugia malayi p21/Cdc42/Rac1-activated kinase 0.0026 0.0195 0.0164
Onchocerca volvulus 0.0143 0.2893 0.7567
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0077 0.1375 0.1522
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.3787 0.6653
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0035 0.0396 0.0438
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0396 0.0801
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0085 0.1553 0.1526
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0195 0.0395
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0589 0.0652
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0724 0.1464
Schistosoma mansoni hypothetical protein 0.0018 0.0012 0.0024
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1254 0.1388
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0396 0.0801
Schistosoma mansoni serine/threonine protein kinase 0.0182 0.3796 0.7678
Giardia lamblia Kinase, CMGC CDK 0.0089 0.1649 0.7365
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0052 0.0782 0.0865
Echinococcus granulosus cyclin dependent kinase 5 0.0089 0.1649 0.1825
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.3787 0.6653
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0052 0.0782 0.449
Brugia malayi PHD-finger family protein 0.003 0.0281 0.025
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0049 0.0724 0.0801
Schistosoma mansoni serine/threonine protein kinase 0.0077 0.1375 0.2781
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.1649 0.3335
Entamoeba histolytica protein kinase, putative 0.0042 0.0551 0.2947
Onchocerca volvulus 0.0096 0.1808 0.3676
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0054 0.084 0.4831
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.3572 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0035 0.0396 0.0365
Schistosoma mansoni bromodomain containing protein 0.0076 0.1354 0.2739
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0035 0.0396 0.0438
Plasmodium falciparum NIMA related kinase 1 0.0106 0.2042 1
Trichomonas vaginalis AGC family protein kinase 0.0084 0.1532 0.2629
Trichomonas vaginalis STE family protein kinase 0.0106 0.2042 0.3538
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0026 0.0195 0.0164
Loa Loa (eye worm) hypothetical protein 0.0085 0.1562 0.1535
Schistosoma mansoni tyrosine kinase 0.0019 0.0027 0.0056
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0215 0.0237
Brugia malayi Protein kinase domain containing protein 0.0035 0.0396 0.0365
Echinococcus multilocularis tumor protein p63 0.0408 0.9035 1
Echinococcus granulosus nervana 2 0.0047 0.0673 0.0745
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0027 0.0056
Entamoeba histolytica p21-activated kinase 0.0044 0.0598 0.3227
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0161 0.3324 0.3303
Giardia lamblia Kinase, NEK 0.0106 0.2042 1
Trichomonas vaginalis AGC family protein kinase 0.0084 0.1532 0.2629
Loa Loa (eye worm) hypothetical protein 0.0084 0.1529 0.1501
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0209 0.4417 0.4399
Echinococcus multilocularis cyclin dependent kinase 0.0089 0.1649 0.1825
Trypanosoma brucei protein kinase, putative 0.0052 0.0782 0.449
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0093 0.1727 1
Trichomonas vaginalis STE family protein kinase 0.0042 0.0551 0.0877
Echinococcus multilocularis serine:threonine protein kinase N2 0.0035 0.0396 0.0438
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0182 0.3796 0.4201
Schistosoma mansoni serine/threonine protein kinase 0.0161 0.3324 0.6724
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0052 0.0794 0.0878
Echinococcus granulosus rho-associated protein kinase 1 0.0148 0.3014 0.3335
Giardia lamblia Kinase, AGC PKA 0.0052 0.0794 0.1629
Brugia malayi Stress-activated protein kinase jnk-1 0.0231 0.4944 0.4928
Toxoplasma gondii AGC kinase 0.0082 0.1486 0.5585
Echinococcus granulosus cyclin dependent kinase 1 0.0089 0.1649 0.1825
Brugia malayi Temporarily assigned gene name protein 59 0.0126 0.2506 0.2482
Brugia malayi p70 ribosomal S6 kinase beta 0.0082 0.1486 0.1458
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3572 0.6269
Echinococcus multilocularis nervana 2 0.0047 0.0673 0.0745
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0042 0.0551 0.061
Brugia malayi map kinase activated protein kinase protein 2 0.0182 0.3796 0.3776
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0782 0.1289
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0035 0.0396 0.0365
Brugia malayi ephrin receptor 1 precursor 0.0033 0.0352 0.0321
Trichomonas vaginalis CMGC family protein kinase 0.0089 0.1649 0.2837
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0042 0.0551 0.061
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.5663 1
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0396 0.0601
Giardia lamblia Kinase, CMGC GSK 0.0052 0.0782 0.155
Schistosoma mansoni serine/threonine-protein kinase 0.0054 0.084 0.17
Trichomonas vaginalis AGC family protein kinase 0.0084 0.1532 0.2629
Trypanosoma brucei rac serine-threonine kinase, putative 0.0084 0.1532 0.8866
Brugia malayi serine/threonine-protein kinase PAK 7 0.0021 0.0059 0.0028
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0231 0.4944 0.4928
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0052 0.0794 0.4559
Loa Loa (eye worm) hypothetical protein 0.0096 0.1808 0.1781
Entamoeba histolytica protein kinase, putative 0.0093 0.1727 1
Echinococcus multilocularis protein kinase c epsilon type 0.0049 0.0724 0.0801
Loa Loa (eye worm) hypothetical protein 0.0049 0.0723 0.0694
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.5663 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0061 0.0123
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0052 0.0782 0.1581
Echinococcus multilocularis cyclin dependent kinase 5 0.0089 0.1649 0.1825
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0161 0.013
Echinococcus multilocularis PAK box P21 Rho binding 0.0021 0.0059 0.0066
Trichomonas vaginalis STE family protein kinase 0.0042 0.0551 0.0877
Schistosoma mansoni atypical protein kinase C 0.0049 0.0724 0.1464
Brugia malayi Bromodomain containing protein 0.0046 0.0655 0.0625
Trypanosoma cruzi cdc2-related kinase 1 0.0089 0.1649 0.9546
Schistosoma mansoni ephrin receptor 0.0066 0.1114 0.2253
Schistosoma mansoni zinc finger protein 0.0024 0.0132 0.0266
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0042 0.0551 0.061
Brugia malayi Protein kinase domain containing protein 0.0089 0.1649 0.1622
Echinococcus granulosus serine:threonine protein kinase N2 0.0035 0.0396 0.0438
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0078 0.0046
Brugia malayi C1-like domain containing protein 0.0099 0.1881 0.1855
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0231 0.4944 0.5472
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0082 0.1486 0.1458
Schistosoma mansoni zinc finger protein 0.0018 0.0012 0.0024
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0061 0.0068
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0396 0.0601
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0052 0.0794 0.0094
Brugia malayi intracellular kinase 0.0052 0.0782 0.0752
Brugia malayi Protein kinase domain containing protein 0.0136 0.2727 0.2703
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0099 0.1881 0.1855
Echinococcus granulosus ephrin type A receptor 4 A 0.0066 0.1114 0.1233
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0396 0.0601
Loa Loa (eye worm) TK/EPH protein kinase 0.0083 0.1509 0.1482
Echinococcus granulosus zinc finger protein 0.0024 0.0132 0.0146
Echinococcus granulosus tumor protein p63 0.0408 0.9035 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.1026 0.0997
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0026 0.0195 0.107
Entamoeba histolytica protein kinase, putative 0.0023 0.0106 0.028
Echinococcus multilocularis dual specificity 0.0093 0.1727 0.1911
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0061 0.0068
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0021 0.0059 0.0028
Entamoeba histolytica protein kinase, putative 0.0082 0.1486 0.8553
Onchocerca volvulus 0.0094 0.1761 0.3508
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0061 0.0123
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0161 0.3315 0.3669
Schistosoma mansoni hypothetical protein 0.0025 0.0161 0.0326
Trichomonas vaginalis STE family protein kinase 0.0042 0.0551 0.0877
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0035 0.0396 0.0438
Entamoeba histolytica hypothetical protein 0.0093 0.1727 1
Trypanosoma cruzi cdc2-related kinase 3 0.0089 0.1649 0.9546
Echinococcus multilocularis cyclin dependent kinase 1 0.0089 0.1649 0.1825
Echinococcus multilocularis Glutaredoxin protein 5 0.0047 0.0673 0.0745
Schistosoma mansoni protein kinase 0.0021 0.0059 0.012
Loa Loa (eye worm) hypothetical protein 0.0087 0.1606 0.158
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.1727 0.3492
Schistosoma mansoni protein kinase 0.0161 0.3315 0.6704
Brugia malayi cell division control protein 2 homolog 0.0089 0.1649 0.1622
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3572 0.6269
Onchocerca volvulus 0.0062 0.1026 0.0874
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0182 0.3796 0.3776
Giardia lamblia Kinase, CMGC CDK 0.0089 0.1649 0.7365
Echinococcus granulosus Glutaredoxin protein 5 0.0047 0.0673 0.0745
Onchocerca volvulus 0.008 0.1433 0.2333
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.5663 1
Toxoplasma gondii NIMA-related protein kinase NIMA1 0.0106 0.2042 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1433 0.1405
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0182 0.3796 0.4201
Entamoeba histolytica protein kinase 2, putative 0.0052 0.0794 0.4404
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0042 0.0551 0.061
Onchocerca volvulus 0.006 0.0967 0.0665
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1254 0.1388
Schistosoma mansoni serine/threonine-protein kinase 0.0054 0.084 0.17
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0089 0.1649 0.9546
Loa Loa (eye worm) hypothetical protein 0.0052 0.0777 0.0747
Entamoeba histolytica protein kinase, putative 0.0084 0.1532 0.8834
Trichomonas vaginalis STE family protein kinase 0.0042 0.0551 0.0877
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0052 0.0782 0.0865
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0161 0.3324 0.3679
Echinococcus multilocularis rho associated protein kinase 0.0148 0.3014 0.3335
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0047 0.0673 0.0745
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0089 0.1649 0.6882
Trypanosoma cruzi cdc2-related kinase 1 0.0089 0.1649 0.9546
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0443 0.0684
Schistosoma mansoni protein kinase 0.0161 0.3315 0.6704
Entamoeba histolytica cell division protein kinase 2, putative 0.0089 0.1649 0.9533
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0089 0.1649 0.1622
Echinococcus multilocularis rac serine:threonine kinase 0.0054 0.084 0.093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0061 0.0029
Plasmodium vivax protein kinase Crk2 0.0089 0.1649 0.6882
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0052 0.0782 0.449
Trichomonas vaginalis AGC family protein kinase 0.0084 0.1532 0.2629
Trypanosoma brucei cdc2-related kinase 1 0.0089 0.1649 0.9546
Brugia malayi Protein kinase domain containing protein 0.0035 0.0396 0.0365
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.003 0.0276 0.0386
Echinococcus multilocularis serine:threonine protein kinase N2 0.0035 0.0396 0.0438
Echinococcus granulosus protein kinase c epsilon type 0.0049 0.0724 0.0801
Echinococcus granulosus cyclin dependent kinase 0.0089 0.1649 0.1825
Echinococcus multilocularis cyclin dependent kinase 1 0.0089 0.1649 0.1825
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0161 0.3324 0.3303
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0035 0.0396 0.0438
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0047 0.0673 0.0745
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3572 0.6269
Schistosoma mansoni serine/threonine protein kinase 0.0231 0.4944 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0262 0.5663 0.5649
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0396 0.0801
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0093 0.1727 1
Entamoeba histolytica protein kinase domain containing protein 0.0052 0.0782 0.4333
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative 0.0106 0.2042 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0089 0.1649 0.9533
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0061 0.0123
Echinococcus granulosus protein kinase shaggy 0.0052 0.0782 0.0865
Trypanosoma brucei cdc2-related kinase 3 0.0089 0.1649 0.9546
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0061 0.0068
Echinococcus multilocularis serine threonine protein kinase 0.0035 0.0396 0.0438
Echinococcus multilocularis serine:threonine protein kinase 38 0.0035 0.0396 0.0438
Trichomonas vaginalis mitogen-activated protein kinase kinase kinase 3, MAPKKK3, MEKK3, putative 0.0026 0.0195 0.0243
Trichomonas vaginalis AGC family protein kinase 0.0084 0.1532 0.2629
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0589 0.0652
Entamoeba histolytica PH domain containing protein kinase, putative 0.0054 0.084 0.4684
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0215 0.0434
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0093 0.1727 1
Brugia malayi Hr1 repeat family protein 0.0035 0.0396 0.0365
Loa Loa (eye worm) hypothetical protein 0.0116 0.2279 0.2254
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0099 0.1881 0.1855
Echinococcus granulosus NDR protein kinase 0.0035 0.0396 0.0438
Entamoeba histolytica protein kinase, putative 0.0093 0.1727 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.1216 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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