Detailed information for compound 1644991

Basic information

Technical information
  • TDR Targets ID: 1644991
  • Name: 4-bromo-2-[2-(4-bromophenyl)-2-oxoethylidene] -5-phenylfuran-3-one
  • MW: 434.078 | Formula: C18H10Br2O3
  • H donors: 0 H acceptors: 2 LogP: 4.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(=O)/C=C\1/OC(=C(C1=O)Br)c1ccccc1
  • InChi: 1S/C18H10Br2O3/c19-13-8-6-11(7-9-13)14(21)10-15-17(22)16(20)18(23-15)12-4-2-1-3-5-12/h1-10H/b15-10+
  • InChiKey: IGZKPEHONHSLAT-XNTDXEJSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2E)-4-bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one
  • 4-bromo-2-[2-(4-bromophenyl)-2-oxo-ethylidene]-5-phenyl-furan-3-one
  • (2E)-4-bromo-2-[2-(4-bromophenyl)-2-oxo-ethylidene]-5-phenyl-furan-3-one
  • 4-bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenyl-3-furanone
  • (2E)-4-bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenyl-3-furanone
  • 4-bromo-2-[2-(4-bromophenyl)-2-keto-ethylidene]-5-phenyl-furan-3-one
  • (2E)-4-bromo-2-[2-(4-bromophenyl)-2-keto-ethylidene]-5-phenyl-furan-3-one
  • NCI60_026528
  • NSC674915

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
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0318 0.042 0.0063
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0298 0.0375 0.0354
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.4471 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1576 0.3322 0.3061
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0318 0.042 0.0399
Echinococcus granulosus serine protein kinase ATM 0.0863 0.1679 0.1661
Trichomonas vaginalis PIKK family atypical protein kinase 0.3336 0.7382 0.7382
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0298 0.0375 0.0354
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0318 0.042 0.0369
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0318 0.042 0.0046
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0298 0.0375 0.0354
Toxoplasma gondii target of rapamycin (TOR), putative 0.3336 0.7382 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2672 0.5852 0.5852
Trichomonas vaginalis PIKK family atypical protein kinase 0.3336 0.7382 0.7382
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0298 0.0375 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.2429 0.5291 0.5291
Trypanosoma cruzi target of rapamycin kinase 3 0.3568 0.7918 0.7836
Giardia lamblia GTOR 0.4471 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0961 0.1905 0.1905
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0484 0.0803 0.0445
Entamoeba histolytica hypothetical protein 0.0863 0.1679 0.1582
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0484 0.0803 0.0445
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0652 0.1192 0.1145
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0298 0.0375 0.0354
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.4471 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.4471 1 1
Schistosoma mansoni hypothetical protein 0.0298 0.0375 0.0324
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0416 0.0648 0.0627
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0298 0.0375 0.0354
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0357 0.051 0.014
Loa Loa (eye worm) phosphatidylinositol 3 0.0298 0.0375 0.0354
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0484 0.0803 0.0696
Loa Loa (eye worm) phosphatidylinositol kinase 0.0298 0.0375 0.0354
Trichomonas vaginalis PIKK family atypical protein kinase 0.0874 0.1703 0.1703
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.4471 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0961 0.1905 0.2183
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0663 0.1217 0.1198
Trichomonas vaginalis PIKK family atypical protein kinase 0.3336 0.7382 0.7382
Trichomonas vaginalis PIKK family atypical protein kinase 0.2999 0.6606 0.6606
Trichomonas vaginalis PIKK family atypical protein kinase 0.0863 0.1679 0.1679
Loa Loa (eye worm) hypothetical protein 0.0663 0.1217 0.1198
Trypanosoma brucei target of rapamycin kinase 3, putative 0.3568 0.7918 0.7836
Trichomonas vaginalis PIKK family atypical protein kinase 0.3336 0.7382 0.7382
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0548 0.0952 0.0932
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0318 0.042 0.0046
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0318 0.042 0.0369
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0863 0.1679 0.1661
Trichomonas vaginalis PIKK family atypical protein kinase 0.3336 0.7382 0.7382
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0416 0.0648 0.0627
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0484 0.0803 0.0803
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0385 0.0575 0.0208
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0863 0.1679 0.1354
Loa Loa (eye worm) phosphatidylinositol 3 0.0298 0.0375 0.0354
Loa Loa (eye worm) hypothetical protein 0.0565 0.0991 0.0971
Trichomonas vaginalis PIKK family atypical protein kinase 0.2433 0.5299 0.5299
Trichomonas vaginalis PIKK family atypical protein kinase 0.3564 0.7909 0.7909
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0168 0.0076 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.2429 0.5291 0.5291
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0298 0.0375 0.0354
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.4471 1 1
Echinococcus multilocularis 0.0298 0.0375 0.0354
Toxoplasma gondii FATC domain-containing protein 0.0863 0.1679 0.1861
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1537 0.3233 0.2969
Loa Loa (eye worm) hypothetical protein 0.0863 0.1679 0.1661
Trichomonas vaginalis PIKK family atypical protein kinase 0.1527 0.3209 0.3209
Loa Loa (eye worm) phosphatidylinositol 3 0.0298 0.0375 0.0354
Trichomonas vaginalis PIKK family atypical protein kinase 0.4471 1 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0318 0.042 0.0308
Entamoeba histolytica hypothetical protein 0.0298 0.0375 0.0263
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0357 0.051 0.014
Schistosoma mansoni hypothetical protein 0.0663 0.1217 0.117
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0318 0.042 0.0399
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0874 0.1703 0.1606
Leishmania major phosphatidylinositol 3-kinase, putative 0.1527 0.3209 0.2944
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0298 0.0375 0.0324
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1868 0.3996 0.3762
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0424 0.0665 0.0665
Onchocerca volvulus 0.0298 0.0375 0.5
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.4471 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1527 0.3209 0.3209
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0318 0.042 0.042
Mycobacterium leprae conserved hypothetical protein 0.0298 0.0375 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0613 0.1102 0.1082
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1527 0.3209 0.2944
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0424 0.0665 0.0665
Loa Loa (eye worm) hypothetical protein 0.0903 0.177 0.1751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.0991 0.0991
Trichomonas vaginalis PIKK family atypical protein kinase 0.2901 0.638 0.638
Entamoeba histolytica hypothetical protein 0.0298 0.0375 0.0263
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0318 0.042 0.042
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0652 0.1192 0.1173
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0318 0.042 0.0399
Trichomonas vaginalis PIKK family atypical protein kinase 0.1201 0.2458 0.2458
Trichomonas vaginalis PIKK family atypical protein kinase 0.2662 0.5827 0.5827
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.4471 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0337 0.0465 0.0094
Entamoeba histolytica protein kinase rad3, putative 0.0863 0.1679 0.1582
Trichomonas vaginalis PIKK family atypical protein kinase 0.4471 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1537 0.3233 0.3233
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0357 0.051 0.0459
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0484 0.0803 0.0803
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0416 0.0648 0.0627
Entamoeba histolytica hypothetical protein 0.0298 0.0375 0.0263
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2107 0.4548 0.4336
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0318 0.042 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.3564 0.7909 0.7909
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0298 0.0375 0.0354
Trichomonas vaginalis PIKK family atypical protein kinase 0.3808 0.847 0.847
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0318 0.042 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0318 0.042 0.0399
Echinococcus multilocularis Zinc finger, PHD finger 0.0318 0.042 0.0399
Trichomonas vaginalis PIKK family atypical protein kinase 0.4471 1 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0318 0.042 0.0399
Loa Loa (eye worm) phosphatidylinositol 3 0.1537 0.3233 0.3218
Trichomonas vaginalis PIKK family atypical protein kinase 0.3564 0.7909 0.7909
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0357 0.051 0.051
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0318 0.042 0.0308
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0663 0.1217 0.1198
Trichomonas vaginalis PIKK family atypical protein kinase 0.2433 0.5299 0.5299
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1537 0.3233 0.2969
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0863 0.1679 0.1661
Trichomonas vaginalis PIKK family atypical protein kinase 0.3336 0.7382 0.7382
Trichomonas vaginalis PIKK family atypical protein kinase 0.2433 0.5299 0.5299
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0565 0.0991 0.064
Mycobacterium tuberculosis Conserved hypothetical protein 0.0298 0.0375 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0357 0.051 0.0489
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.4471 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0318 0.042 0.042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0298 0.0375 0.0375
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0863 0.1679 0.1661
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0863 0.1679 0.1354
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0298 0.0375 0.0375
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0318 0.042 0.0046
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.4471 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0445 0.0713 0.0605
Trichomonas vaginalis PIKK family atypical protein kinase 0.3336 0.7382 0.7382
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0863 0.1679 0.1661
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0548 0.0952 0.0932
Trichomonas vaginalis PIKK family atypical protein kinase 0.2433 0.5299 0.5299
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0484 0.0803 0.0803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0863 0.1679 0.1679
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0357 0.051 0.051
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0298 0.0375 0.0324
Trichomonas vaginalis PIKK family atypical protein kinase 0.3564 0.7909 0.7909
Loa Loa (eye worm) hypothetical protein 0.0298 0.0375 0.0354
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0863 0.1679 0.1635
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0298 0.0375 0.0375
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.3568 0.7918 0.7836
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0484 0.0803 0.0783
Trichomonas vaginalis conserved hypothetical protein 0.0663 0.1217 0.1217
Trichomonas vaginalis PIKK family atypical protein kinase 0.2672 0.5852 0.5852
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0318 0.042 0.0063
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0318 0.042 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0652 0.1192 0.1173
Trichomonas vaginalis PIKK family atypical protein kinase 0.2429 0.5291 0.5291
Entamoeba histolytica hypothetical protein 0.0445 0.0713 0.0605
Trichomonas vaginalis conserved hypothetical protein 0.0565 0.0991 0.0991
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0357 0.051 0.051
Trichomonas vaginalis PIKK family atypical protein kinase 0.2662 0.5827 0.5827
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0298 0.0375 0.0324
Echinococcus multilocularis serine protein kinase ATM 0.0863 0.1679 0.1661
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0357 0.051 0.0399
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0357 0.051 0.0399
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.4471 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1576 0.3322 0.3307
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1576 0.3322 0.3307
Trichomonas vaginalis PIKK family atypical protein kinase 0.1527 0.3209 0.3209
Trichomonas vaginalis PIKK family atypical protein kinase 0.2672 0.5852 0.5852
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.4471 1 1
Loa Loa (eye worm) hypothetical protein 0.0961 0.1905 0.1887
Loa Loa (eye worm) hypothetical protein 0.0416 0.0648 0.0627
Onchocerca volvulus 0.0298 0.0375 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0377 0.0558 0.0448
Brugia malayi FAT domain containing protein 0.0663 0.1217 0.1198
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1576 0.3322 0.3307
Leishmania major hypothetical protein, conserved 0.0387 0.058 0.0213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0298 0.0375 0.0375
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1576 0.3322 0.3061
Leishmania major phosphatidylinositol 3-kinase, putative 0.0318 0.042 0.0046
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1576 0.3322 0.3286
Loa Loa (eye worm) phosphatidylinositol 3 0.0298 0.0375 0.0354
Schistosoma mansoni fkbp-rapamycin associated protein 0.0863 0.1679 0.1635
Trichomonas vaginalis PIKK family atypical protein kinase 0.1527 0.3209 0.3209
Loa Loa (eye worm) phosphatidylinositol 3 0.4471 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0863 0.1679 0.1354
Trichomonas vaginalis PIKK family atypical protein kinase 0.3564 0.7909 0.7909
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0298 0.0375 0.0354

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.058 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.885 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.81 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.541 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.414 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.309 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.235 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.