Detailed information for compound 903606

Basic information

Technical information
  • TDR Targets ID: 903606
  • Name: 2-[1-(3-fluoro-4-methylphenyl)-2-(4-methylphe nyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3 -dione
  • MW: 459.426 | Formula: C25H18FN3O5
  • H donors: 0 H acceptors: 5 LogP: 3.98 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1N(c2ccc(c(c2)F)C)C(=O)C1N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]
  • InChi: 1S/C25H18FN3O5/c1-13-3-6-15(7-4-13)21-22(25(32)27(21)16-8-5-14(2)20(26)12-16)28-23(30)18-10-9-17(29(33)34)11-19(18)24(28)31/h3-12,21-22H,1-2H3
  • InChiKey: UAQIJDPSPVGJOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[1-(3-fluoro-4-methyl-phenyl)-2-(4-methylphenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione
  • 2-[1-(3-fluoro-4-methylphenyl)-2-(4-methylphenyl)-4-oxo-3-azetidinyl]-5-nitroisoindoline-1,3-dione
  • 2-[1-(3-fluoro-4-methyl-phenyl)-2-keto-4-(4-methylphenyl)azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone
  • 2-[1-(3-fluoro-4-methyl-phenyl)-2-(4-methylphenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindole-1,3-dione
  • EU-0005086
  • Oprea1_453591
  • ChemDiv1_021505

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
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.008 0.0602 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0473 0.6846 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0672 1 1
Loa Loa (eye worm) glycogen phosphorylase 0.0215 0.2742 0.275
Echinococcus multilocularis Zinc finger, PHD finger 0.008 0.0602 0.0176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0223 0.0248
Echinococcus granulosus glycogen phosphorylase 0.0215 0.2742 0.2413
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0266 0.3566 0.4885
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0473 0.6846 1
Schistosoma mansoni glycogen phosphorylase 0.0215 0.2742 0.2413
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.008 0.0602 0.0176
Giardia lamblia Glycogen phosphorylase 0.0215 0.2742 0.6695
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0265 0.031
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0199 0.249 0.3207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0265 0.031
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0133 0.1443 0.1789
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0153 0.1772 0.2088
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.008 0.0602 0.0176
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0153 0.1772 0.2289
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.036 0.5052 0.7358
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0153 0.1772 0.2088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0433 0.0557
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0433 0.0557
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0069 0.0433 0.2444
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0452 0.6517 0.9488
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0473 0.6846 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0133 0.1443 0.1203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0055 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0223 0.0248
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0094 0.0835 0.1164
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0473 0.6846 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0153 0.1772 0.2529
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.008 0.0602 1
Schistosoma mansoni glycogen phosphorylase 0.0093 0.0808 0.0392
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.008 0.0602 0.0176
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0286 0.3882 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0093 0.0808 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0145 0.0133
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0055 0.0001
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.036 0.5052 0.7358
Entamoeba histolytica glycogen phosphorylase, putative 0.0093 0.0808 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0055 0.0001
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0069 0.0433 0.2444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0223 0.0248
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.008 0.0602 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0223 0.0248
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0266 0.3566 0.3275
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0093 0.0808 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0473 0.6846 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0672 1 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0215 0.2742 0.3957
Echinococcus multilocularis glycogen phosphorylase 0.0215 0.2742 0.2413
Schistosoma mansoni phosphatidylinositol 4-kinase 0.008 0.0602 0.0176
Trichomonas vaginalis glycogen phosphorylase, putative 0.0215 0.2742 0.3957
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0153 0.1772 0.2529
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.008 0.0602 1
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.008 0.0602 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0102 0.0071
Echinococcus granulosus Glycosyl transferase family 35 0.0215 0.2742 0.2413
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0266 0.3566 0.3275
Loa Loa (eye worm) hypothetical protein 0.0266 0.3566 0.3731
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0098 0.0063
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.008 0.0602 0.3396
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0055 0.0001
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0399 0.5676 0.8175
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.008 0.0602 0.0511
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0153 0.1772 0.2529
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.008 0.0602 0.0263
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.008 0.0602 0.0511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0223 0.0248
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0153 0.1772 0.1399
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0069 0.0433 0.4982
Plasmodium falciparum phosphatidylinositol 3-kinase 0.008 0.0602 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0153 0.1772 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0193 0.2396 0.3061
Loa Loa (eye worm) phosphatidylinositol 3 0.0598 0.883 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0102 0.0071
Entamoeba histolytica hypothetical protein 0.0399 0.5676 0.8175
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.008 0.0602 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0265 0.031
Echinococcus multilocularis glycogen phosphorylase 0.0215 0.2742 0.2413
Schistosoma mansoni glycogen phosphorylase 0.0215 0.2742 0.2413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0223 0.0248
Echinococcus multilocularis Glycosyl transferase, family 35 0.0215 0.2742 0.2413
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0473 0.6846 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0473 0.6846 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0265 0.031
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0069 0.0433 0.0254
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0163 0.0159
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0059 0.0266 0.1499
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0265 0.031
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0093 0.0808 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.008 0.0602 0.0806
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.008 0.0602 0.0806
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.008 0.0602 0.0176
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0153 0.1772 0.2088
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0069 0.0433 0.0254
Onchocerca volvulus Glycogen phosphorylase homolog 0.0215 0.2742 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0098 0.0063
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0069 0.0433 0.4982
Echinococcus granulosus glycogen phosphorylase 0.0215 0.2742 0.2413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0102 0.0071
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.008 0.0602 0.0806
Brugia malayi carbohydrate phosphorylase 0.0215 0.2742 0.36
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0313 0.0381
Entamoeba histolytica glycogen phosphorylase, putative 0.0215 0.2742 0.36
Chlamydia trachomatis glycogen phosphorylase 0.0215 0.2742 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0215 0.2742 0.36
Leishmania major phosphatidylinositol 3-kinase, putative 0.008 0.0602 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0433 0.0557
Entamoeba histolytica glycogen phosphorylase, putative 0.0093 0.0808 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0223 0.0248
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.008 0.0602 0.0201
Loa Loa (eye worm) hypothetical protein 0.0207 0.2616 0.26

Activities

No activities found for this compound.

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

No literature references available for this target.

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