Detailed information for compound 1644988

Basic information

Technical information
  • TDR Targets ID: 1644988
  • Name: 4-acetyl-1-(2-propan-2-ylphenyl)pyrrolidine-2 ,3,5-trione
  • MW: 273.284 | Formula: C15H15NO4
  • H donors: 0 H acceptors: 4 LogP: 1.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)C1C(=O)C(=O)N(C1=O)c1ccccc1C(C)C
  • InChi: 1S/C15H15NO4/c1-8(2)10-6-4-5-7-11(10)16-14(19)12(9(3)17)13(18)15(16)20/h4-8,12H,1-3H3
  • InChiKey: RSIJLVPDCCANIT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-acetyl-1-(2-isopropylphenyl)pyrrolidine-2,3,5-trione
  • 4-ethanoyl-1-(2-propan-2-ylphenyl)pyrrolidine-2,3,5-trione
  • 4-Acetyl-1-(2-isopropylphenyl)-2,3,5-pyrrolidinetrione
  • AIDS-131503
  • AIDS131503
  • NSC623898
  • NCI60_007140

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
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0428 0.042 0.0035
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0428 0.042 0.0371
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.6158 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0408 0.0386 0.0365
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0428 0.042 0.0049
Trichomonas vaginalis PIKK family atypical protein kinase 0.4591 0.738 0.738
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0408 0.0386 0.0365
Echinococcus granulosus serine protein kinase ATM 0.1184 0.1683 0.1665
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0428 0.042 0.04
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2146 0.3292 0.3023
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0408 0.0386 0.0354
Trichomonas vaginalis PIKK family atypical protein kinase 0.4591 0.738 0.738
Trichomonas vaginalis PIKK family atypical protein kinase 0.3681 0.5858 0.5858
Trichomonas vaginalis PIKK family atypical protein kinase 0.334 0.5288 0.5288
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0408 0.0386 0.0384
Toxoplasma gondii target of rapamycin (TOR), putative 0.4591 0.738 1
Giardia lamblia GTOR 0.6158 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.4912 0.7917 0.7833
Trichomonas vaginalis conserved hypothetical protein 0.1318 0.1908 0.1908
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0782 0.1012 0.0967
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0408 0.0386 0.0384
Entamoeba histolytica hypothetical protein 0.1184 0.1683 0.1656
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0604 0.0714 0.0341
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0604 0.0714 0.0341
Schistosoma mansoni hypothetical protein 0.0408 0.0386 0.0337
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0408 0.0386 0.0365
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0469 0.0489 0.0107
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0533 0.0595 0.0575
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.6158 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.6158 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1318 0.1908 0.2176
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.6158 1 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.091 0.1226 0.1208
Loa Loa (eye worm) phosphatidylinositol kinase 0.0408 0.0386 0.0365
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0604 0.0714 0.0684
Loa Loa (eye worm) phosphatidylinositol 3 0.0408 0.0386 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.1195 0.1701 0.1701
Loa Loa (eye worm) hypothetical protein 0.091 0.1226 0.1208
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4912 0.7917 0.7833
Trichomonas vaginalis PIKK family atypical protein kinase 0.4591 0.738 0.738
Trichomonas vaginalis PIKK family atypical protein kinase 0.4131 0.6611 0.6611
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1184 0.1683 0.1665
Trichomonas vaginalis PIKK family atypical protein kinase 0.4591 0.738 0.738
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0428 0.042 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.1683 0.1683
Trichomonas vaginalis PIKK family atypical protein kinase 0.4591 0.738 0.738
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0672 0.0828 0.0809
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0428 0.042 0.0035
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1184 0.1683 0.1349
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0533 0.0595 0.0593
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0499 0.0539 0.0159
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0604 0.0714 0.0714
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.6158 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.334 0.5288 0.5288
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0408 0.0386 0.0384
Echinococcus multilocularis 0.0408 0.0386 0.0365
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0776 0.1001 0.064
Loa Loa (eye worm) phosphatidylinositol 3 0.0408 0.0386 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.3345 0.5297 0.5297
Trichomonas vaginalis PIKK family atypical protein kinase 0.4907 0.7908 0.7908
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.019 0.0021 0.0019
Loa Loa (eye worm) phosphatidylinositol 3 0.0408 0.0386 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.2094 0.3205 0.3205
Echinococcus multilocularis serine protein kinase ATM 0.1184 0.1683 0.1665
Loa Loa (eye worm) hypothetical protein 0.1184 0.1683 0.1665
Leishmania major phosphatidylinositol 3-related kinase, putative 0.2105 0.3223 0.2952
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0469 0.0489 0.0107
Entamoeba histolytica hypothetical protein 0.0408 0.0386 0.0354
Trichomonas vaginalis PIKK family atypical protein kinase 0.6158 1 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0428 0.042 0.0389
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2569 0.4 0.3759
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0408 0.0386 0.0337
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0541 0.0608 0.0608
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1195 0.1701 0.1675
Leishmania major phosphatidylinositol 3-kinase, putative 0.2094 0.3205 0.2932
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0428 0.042 0.04
Schistosoma mansoni hypothetical protein 0.091 0.1226 0.1182
Onchocerca volvulus 0.0408 0.0386 0.5
Loa Loa (eye worm) hypothetical protein 0.0776 0.1001 0.0982
Trichomonas vaginalis PIKK family atypical protein kinase 0.2094 0.3205 0.3205
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.6158 1 1
Mycobacterium leprae conserved hypothetical protein 0.0408 0.0386 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0428 0.042 0.042
Entamoeba histolytica hypothetical protein 0.0408 0.0386 0.0354
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0428 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.1246 0.1787 0.177
Trichomonas vaginalis PIKK family atypical protein kinase 0.3996 0.6386 0.6386
Loa Loa (eye worm) phosphatidylinositol 3 0.0741 0.0943 0.0924
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0782 0.1012 0.0993
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2094 0.3205 0.2932
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0541 0.0608 0.0608
Trichomonas vaginalis PIKK family atypical protein kinase 0.1654 0.2469 0.2469
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0428 0.042 0.04
Trichomonas vaginalis PIKK family atypical protein kinase 0.3661 0.5825 0.5825
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.6158 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0449 0.0455 0.0072
Trichomonas vaginalis PIKK family atypical protein kinase 0.2105 0.3223 0.3223
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0469 0.0489 0.0441
Trichomonas vaginalis PIKK family atypical protein kinase 0.6158 1 1
Entamoeba histolytica protein kinase rad3, putative 0.1184 0.1683 0.1656
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2905 0.4561 0.4343
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0428 0.042 0.0035
Trichomonas vaginalis PIKK family atypical protein kinase 0.4907 0.7908 0.7908
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0408 0.0386 0.0365
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0604 0.0714 0.0714
Entamoeba histolytica hypothetical protein 0.0408 0.0386 0.0354
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0533 0.0595 0.0575
Trichomonas vaginalis PIKK family atypical protein kinase 0.6158 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0428 0.042 0.04
Loa Loa (eye worm) phosphatidylinositol 3 0.2105 0.3223 0.3209
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0428 0.042 0.0418
Trichomonas vaginalis PIKK family atypical protein kinase 0.5247 0.8478 0.8478
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0428 0.042 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0428 0.042 0.04
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.2105 0.3223 0.2952
Toxoplasma gondii FATC domain-containing protein 0.1184 0.1683 0.1855
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0428 0.042 0.0389
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0469 0.0489 0.0489
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.091 0.1226 0.1208
Trichomonas vaginalis PIKK family atypical protein kinase 0.3345 0.5297 0.5297
Trichomonas vaginalis PIKK family atypical protein kinase 0.4907 0.7908 0.7908
Trichomonas vaginalis PIKK family atypical protein kinase 0.0408 0.0386 0.0386
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1184 0.1683 0.1349
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0408 0.0386 0.0386
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1184 0.1683 0.1681
Trichomonas vaginalis conserved hypothetical protein 0.0776 0.1001 0.1001
Trichomonas vaginalis PIKK family atypical protein kinase 0.3345 0.5297 0.5297
Trichomonas vaginalis PIKK family atypical protein kinase 0.4591 0.738 0.738
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0428 0.042 0.042
Mycobacterium tuberculosis Conserved hypothetical protein 0.0408 0.0386 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0469 0.0489 0.0487
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.6158 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1184 0.1683 0.1641
Trichomonas vaginalis PIKK family atypical protein kinase 0.3345 0.5297 0.5297
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0672 0.0828 0.0809
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0428 0.042 0.0035
Trichomonas vaginalis PIKK family atypical protein kinase 0.4591 0.738 0.738
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0563 0.0645 0.0615
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.6158 1 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.1184 0.1683 0.1641
Loa Loa (eye worm) hypothetical protein 0.0408 0.0386 0.0365
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0408 0.0386 0.0386
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0469 0.0489 0.0489
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.1683 0.1683
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0604 0.0714 0.0714
Trichomonas vaginalis PIKK family atypical protein kinase 0.4907 0.7908 0.7908
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0408 0.0386 0.0337
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0428 0.042 0.0049
Trichomonas vaginalis PIKK family atypical protein kinase 0.3681 0.5858 0.5858
Trichomonas vaginalis conserved hypothetical protein 0.091 0.1226 0.1226
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0782 0.1012 0.0993
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0428 0.042 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0604 0.0714 0.0712
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4912 0.7917 0.7833
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0469 0.0489 0.0489
Trichomonas vaginalis PIKK family atypical protein kinase 0.3661 0.5825 0.5825
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0408 0.0386 0.0337
Trichomonas vaginalis PIKK family atypical protein kinase 0.334 0.5288 0.5288
Trichomonas vaginalis PIKK family atypical protein kinase 0.0776 0.1001 0.1001
Entamoeba histolytica hypothetical protein 0.0563 0.0645 0.0615
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2146 0.3292 0.3278
Trichomonas vaginalis PIKK family atypical protein kinase 0.3681 0.5858 0.5858
Trichomonas vaginalis PIKK family atypical protein kinase 0.2094 0.3205 0.3205
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2146 0.3292 0.3291
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0469 0.0489 0.0458
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1184 0.1683 0.1681
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.6158 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0469 0.0489 0.0458
Loa Loa (eye worm) hypothetical protein 0.0533 0.0595 0.0575
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0491 0.0526 0.0495
Onchocerca volvulus 0.0408 0.0386 0.5
Loa Loa (eye worm) hypothetical protein 0.1318 0.1908 0.1891
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.6158 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0428 0.042 0.0035
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2146 0.3292 0.3023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0408 0.0386 0.0386
Leishmania major hypothetical protein, conserved 0.0501 0.0542 0.0163
Brugia malayi FAT domain containing protein 0.091 0.1226 0.1224
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2146 0.3292 0.3278
Loa Loa (eye worm) phosphatidylinositol 3 0.6158 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2094 0.3205 0.3205
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0408 0.0386 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.4907 0.7908 0.7908
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1184 0.1683 0.1349
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2146 0.3292 0.3258
Loa Loa (eye worm) phosphatidylinositol 3 0.0408 0.0386 0.0365
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1184 0.1683 0.1665

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 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 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 UO-31 Renal 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 ACHN Renal 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 HL-60(TB) Leukemia 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 HOP-92 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 SF-539 Central Nervous System 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 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 SK-MEL-5 Melanoma 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.

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