Detailed information for compound 1133784

Basic information

Technical information
  • TDR Targets ID: 1133784
  • Name: N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl )acetamide
  • MW: 310.304 | Formula: C17H14N2O4
  • H donors: 1 H acceptors: 3 LogP: 1.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC(=O)NN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C17H14N2O4/c1-23-12-8-6-11(7-9-12)10-15(20)18-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-9H,10H2,1H3,(H,18,20)
  • InChiKey: WLLCDXFJTNQVOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-dioxoisoindolin-2-yl)-2-(4-methoxyphenyl)acetamide
  • N-(1,3-dioxo-2-isoindolinyl)-2-(4-methoxyphenyl)acetamide
  • N-(1,3-diketoisoindolin-2-yl)-2-(4-methoxyphenyl)acetamide
  • N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)ethanamide
  • CBMicro_024477
  • N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(4-methoxyphenyl)acetamide
  • SMR000268195
  • BIM-0024506.P001
  • Oprea1_141761
  • MLS000686548
  • STK223105
  • ZINC00449425

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0503 0.1753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.078 0.2717
Loa Loa (eye worm) hypothetical protein 0.0071 0.0503 0.0675
Loa Loa (eye worm) RNA binding protein 0.0619 0.7457 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0503 0.0675
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0239 0.0833
Brugia malayi beta-lactamase 0.0071 0.0503 0.0675
Trichomonas vaginalis set domain proteins, putative 0.0257 0.287 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0301 0.1048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0018 0.0018
Loa Loa (eye worm) TAR-binding protein 0.0619 0.7457 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.054 0.1881
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0093 0.078 0.1046
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.024 0.0837
Schistosoma mansoni hypothetical protein 0.0205 0.22 0.22
Brugia malayi Pre-SET motif family protein 0.0226 0.2474 0.3317
Loa Loa (eye worm) transcription factor SMAD2 0.0408 0.4778 0.6407
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0503 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0503 0.0675
Loa Loa (eye worm) hypothetical protein 0.0071 0.0503 0.0675
Trichomonas vaginalis PIKK family atypical protein kinase 0.0079 0.0608 0.212
Brugia malayi RNA recognition motif domain containing protein 0.0619 0.7457 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0479 0.167
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0003 0.0003
Mycobacterium ulcerans beta-lactamase 0.0071 0.0503 0.5
Schistosoma mansoni microtubule-associated protein tau 0.082 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.054 0.1881
Mycobacterium ulcerans lipase LipD 0.0071 0.0503 0.5
Trypanosoma cruzi target of rapamycin kinase 3 0.0074 0.0541 0.6934
Echinococcus granulosus tar DNA binding protein 0.0619 0.7457 0.7457
Echinococcus granulosus tumor protein p63 0.0348 0.4023 0.4023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0394 0.1371
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0503 0.6453
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0074 0.0541 0.6934
Mycobacterium ulcerans hypothetical protein 0.0071 0.0503 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0052 0.007
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0093 0.078 0.078
Brugia malayi beta-lactamase family protein 0.0071 0.0503 0.0675
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0479 0.167
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0093 0.078 0.078
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0258 0.0346
Loa Loa (eye worm) hypothetical protein 0.0071 0.0503 0.0675
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0503 0.1753
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.024 0.0837
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.0368 0.1283
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0479 0.167
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0503 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0619 0.7457 1
Leishmania major hypothetical protein, conserved 0.0071 0.0503 0.6453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.078 0.2717
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0038 0.0094 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.054 0.1881
Brugia malayi RNA binding protein 0.0619 0.7457 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0093 0.078 1
Schistosoma mansoni tar DNA-binding protein 0.0619 0.7457 0.7457
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0503 0.1753
Mycobacterium leprae Probable lipase LipE 0.0071 0.0503 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0503 0.0503
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0479 0.167
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0093 0.078 1
Trichomonas vaginalis esterase, putative 0.0071 0.0503 0.1753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0479 0.167
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0503 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0093 0.078 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0503 0.0675
Toxoplasma gondii target of rapamycin (TOR), putative 0.0069 0.0479 0.9505
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0308 0.1072
Onchocerca volvulus 0.0071 0.0503 0.1702
Schistosoma mansoni tar DNA-binding protein 0.0619 0.7457 0.7457
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0018 0.0018
Loa Loa (eye worm) beta-lactamase 0.0071 0.0503 0.0675
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0093 0.078 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0452 0.5335 1
Onchocerca volvulus 0.0071 0.0503 0.1702
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.007
Brugia malayi beta-lactamase family protein 0.0071 0.0503 0.0675
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0503 0.6453
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0503 0.0675
Echinococcus granulosus geminin 0.0205 0.22 0.22
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.024 0.0837
Brugia malayi Pre-SET motif family protein 0.0032 0.0018 0.0024
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0018 0.0018
Schistosoma mansoni tar DNA-binding protein 0.0619 0.7457 0.7457
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0093 0.078 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0093 0.078 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0052 0.0052
Loa Loa (eye worm) MH2 domain-containing protein 0.0408 0.4778 0.6407
Echinococcus multilocularis tar DNA binding protein 0.0619 0.7457 0.7457
Loa Loa (eye worm) phosphatidylinositol 3 0.0093 0.078 0.1046
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0258 0.0346
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0503 0.6453
Giardia lamblia GTOR 0.0093 0.078 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0253 0.0339
Toxoplasma gondii ABC1 family protein 0.0071 0.0503 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0479 0.167
Schistosoma mansoni tar DNA-binding protein 0.0619 0.7457 0.7457
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0503 0.0503
Brugia malayi TAR-binding protein 0.0619 0.7457 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0503 0.0675
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.054 0.1881
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.054 0.1881
Onchocerca volvulus 0.0257 0.287 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.2474 0.3317
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0503 0.0503
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0308 0.1072
Schistosoma mansoni tar DNA-binding protein 0.0619 0.7457 0.7457
Echinococcus multilocularis geminin 0.0205 0.22 0.22
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0044 0.0161 0.207
Echinococcus multilocularis microtubule associated protein 2 0.082 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.024 0.0837
Brugia malayi MH2 domain containing protein 0.0408 0.4778 0.6407
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0093 0.078 0.078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0301 0.1048
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0074 0.0541 0.6934
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0239 0.0833
Loa Loa (eye worm) hypothetical protein 0.0051 0.0258 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0308 0.1072
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0239 0.0833
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0093 0.078 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.078 0.2717
Loa Loa (eye worm) hypothetical protein 0.0032 0.0018 0.0024
Echinococcus multilocularis tumor protein p63 0.0348 0.4023 0.4023
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0018 0.0018
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0018 0.0018
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0018 0.0018
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0503 0.1753
Onchocerca volvulus 0.0071 0.0503 0.1702
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0503 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0258 0.0346
Onchocerca volvulus 0.0051 0.0253 0.0825
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0253 0.0253
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0093 0.078 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0503 0.1753
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0503 0.0503
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0479 0.167
Schistosoma mansoni hypothetical protein 0.0205 0.22 0.22

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2593 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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