Detailed information for compound 1540215

Basic information

Technical information
  • TDR Targets ID: 1540215
  • Name: 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
  • MW: 223.27 | Formula: C15H13NO
  • H donors: 1 H acceptors: 1 LogP: 2.4 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Cc2ccccc2C(N1)c1ccccc1
  • InChi: 1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
  • InChiKey: IAOCKKZVKNCZPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 17507-05-0
  • MLS000107013
  • Oprea1_585099
  • 1-Phenyl-1,2,3,4-tetrahydroisoquinolin-3-one
  • 3(2H)-Isoquinolinone, 1,4-dihydro-4-phenyl-
  • 5-21-09-00065 (Beilstein Handbook Reference)
  • BRN 1532304
  • ISOQUINOLIN-3-ONE, 1,2,3,4-TETRAHYDRO-1-PHENYL-
  • Maybridge1_001962
  • ST5445095
  • SMR000111387
  • SR-01000609314-2

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
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 1 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0011 0 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 1 1
Brugia malayi Isocitrate dehydrogenase 0.0018 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0011 0 0.5
Giardia lamblia Replication factor C, subunit 1 0.0011 0 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0 0.5
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0011 0 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 1 1
Entamoeba histolytica hypothetical protein 0.0011 0 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 1 1
Chlamydia trachomatis DNA ligase 0.0011 0 0.5
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0 0.5
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 1 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 1 1
Onchocerca volvulus 0.0011 0 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 1 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 1 1
Treponema pallidum DNA ligase (lig) 0.0011 0 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 1 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 105 mg kg-1 Anticonvulsant activity in po dosed mouse assessed as protection against maximal electroshock-induced seizures pretreated for 3 hrs ChEMBL. 915897
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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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