Detailed information for compound 1374320

Basic information

Technical information
  • TDR Targets ID: 1374320
  • Name: 3-hydroxy-2-(3-morpholin-4-ylpropyl)-3-(pheny lmethyl)isoindol-1-one
  • MW: 366.453 | Formula: C22H26N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1c2ccccc2C(N1CCCN1CCOCC1)(O)Cc1ccccc1
  • InChi: 1S/C22H26N2O3/c25-21-19-9-4-5-10-20(19)22(26,17-18-7-2-1-3-8-18)24(21)12-6-11-23-13-15-27-16-14-23/h1-5,7-10,26H,6,11-17H2
  • InChiKey: QXNASVJEXMXHKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-hydroxy-2-(3-morpholinopropyl)-3-(phenylmethyl)isoindolin-1-one
  • 3-hydroxy-2-(3-morpholinopropyl)-3-(phenylmethyl)-1-isoindolinone
  • 3-(benzyl)-3-hydroxy-2-(3-morpholinopropyl)isoindolin-1-one
  • 3-Benzyl-3-hydroxy-2-(3-morpholin-4-yl-propyl)-2,3-dihydro-isoindol-1-one
  • EU-0009013
  • 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindolin-1-one
  • MLS000089853
  • SMR000024471
  • Oprea1_841579
  • A2263/0095302

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum kinesin-5 0.0081 0.0527 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.1118 0.1657
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0231 0.0212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0106
Echinococcus multilocularis serotonin transporter 0.0295 0.3026 0.2905
Loa Loa (eye worm) serotonin transporter b 0.0295 0.3026 1
Plasmodium falciparum amino acid transporter, putative 0.005 0.017 0.3225
Brugia malayi follicle stimulating hormone receptor 0.0226 0.2222 0.7185
Brugia malayi hypothetical protein 0.0135 0.116 0.3465
Plasmodium vivax amine transporter, putative 0.005 0.017 0.3225
Brugia malayi 6-phosphofructokinase 0.0131 0.1118 0.3318
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.2222 0.7185
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.1118 0.3318
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0106
Brugia malayi Kinesin motor domain containing protein 0.0081 0.0527 0.1251
Echinococcus granulosus kinesin family 1 0.0621 0.6832 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1118 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0081 0.0527 1
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.1118 0.5
Echinococcus granulosus survival motor neuron protein 1 0.026 0.2623 0.3682
Treponema pallidum sodium- and chloride- dependent transporter 0.0295 0.3026 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0231 0.0062
Onchocerca volvulus Huntingtin homolog 0.0135 0.116 0.3465
Brugia malayi 6-phosphofructokinase 0.0131 0.1118 0.3318
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0231 0.0091
Entamoeba histolytica kinesin, putative 0.0081 0.0527 0.4719
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.017 0.3225
Schistosoma mansoni hypothetical protein 0.0053 0.0206 0.0062
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.1118 0.5
Toxoplasma gondii hypothetical protein 0.005 0.017 0.3225
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.1118 0.3694
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0231 0.0062
Loa Loa (eye worm) phosphofructokinase 0.0131 0.1118 0.3318
Loa Loa (eye worm) hypothetical protein 0.0295 0.3026 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.017 0.3225
Loa Loa (eye worm) solute carrier family 6 member 4 0.0295 0.3026 1
Onchocerca volvulus Huntingtin homolog 0.0135 0.116 0.3465
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1118 1
Brugia malayi Cytochrome P450 family protein 0.0054 0.0222 0.0181
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.017 0.3225
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.1118 0.0964
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0295 0.3026 0.4992
Brugia malayi phosphofructokinase 0.0131 0.1118 0.3318
Onchocerca volvulus 0.0295 0.3026 1
Loa Loa (eye worm) hypothetical protein 0.0295 0.3026 1
Schistosoma mansoni survival motor neuron protein 0.0053 0.0206 0.0062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0231 0.0091
Loa Loa (eye worm) hypothetical protein 0.0295 0.3026 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0295 0.3026 1
Schistosoma mansoni kinesin eg-5 0.0081 0.0527 0.0625
Echinococcus multilocularis kinesin family 1 0.0621 0.6832 0.6777
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.1118 0.5
Plasmodium falciparum transporter, putative 0.005 0.017 0.3225
Schistosoma mansoni hypothetical protein 0.054 0.589 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.116 0.3465
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1118 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.1118 0.3318
Giardia lamblia Kinesin-5 0.0081 0.0527 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0222 0.0181
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0231 0.0212
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1118 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1118 1
Echinococcus granulosus serotonin transporter 0.0295 0.3026 0.4287
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.1118 0.5
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.005 0.017 1
Loa Loa (eye worm) hypothetical protein 0.026 0.2623 0.8589
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1118 1
Loa Loa (eye worm) norepinephrine transporter 0.0295 0.3026 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.1118 0.5
Plasmodium vivax hypothetical protein, conserved 0.005 0.017 0.3225
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.1118 0.1423
Onchocerca volvulus 0.0053 0.0206 0.0124
Brugia malayi hypothetical protein 0.026 0.2623 0.8589
Loa Loa (eye worm) kinesin-like protein KLP2 0.0081 0.0527 0.1251
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0206 0.0124
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.1118 0.5
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1118 1
Toxoplasma gondii hypothetical protein 0.005 0.017 0.3225
Plasmodium vivax kinesin-5 0.0081 0.0527 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.116 0.3465
Schistosoma mansoni sodium/chloride dependent transporter 0.0295 0.3026 0.4992
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.1118 0.1657
Echinococcus multilocularis survival motor neuron protein 1 0.026 0.2623 0.2495

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0029 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) 1 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.4921 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] 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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