Detailed information for compound 201142

Basic information

Technical information
  • TDR Targets ID: 201142
  • Name: 2-(2-amino-5-methoxyphenyl)isoindole-1,3-dion e
  • MW: 268.267 | Formula: C15H12N2O3
  • H donors: 1 H acceptors: 2 LogP: 1.75 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)N1C(=O)c2c(C1=O)cccc2)N
  • InChi: 1S/C15H12N2O3/c1-20-9-6-7-12(16)13(8-9)17-14(18)10-4-2-3-5-11(10)15(17)19/h2-8H,16H2,1H3
  • InChiKey: JGIXQBVIBQYDOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-amino-5-methoxy-phenyl)isoindoline-1,3-dione
  • 2-(2-amino-5-methoxyphenyl)isoindoline-1,3-dione
  • 2-(2-azanyl-5-methoxy-phenyl)isoindole-1,3-dione
  • 2-(2-amino-5-methoxy-phenyl)isoindoline-1,3-quinone
  • 2-(2-amino-5-methoxy-phenyl)isoindole-1,3-dione
  • 2-(2-Amino-5-methoxyphenyl)-1H-isoindole-1,3(2H)-dione
  • AIDS-143849
  • AIDS143849
  • NSC665505

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) hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus hypothetical protein 0.0091 0.0061 0.0061
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Echinococcus multilocularis orexin receptor type 2 0.0091 0.0061 0.0061
Brugia malayi G protein-coupled receptor 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Echinococcus multilocularis thymidine phosphorylase 0.1323 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0091 0.0061 0.0061
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0091 0.0061 0.0061
Brugia malayi neuropeptide F receptor 0.0091 0.0061 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0091 0.0061 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0096 0.0096 1
Echinococcus multilocularis G protein coupled receptor 139 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0091 0.0061 0.0061
Onchocerca volvulus 0.0091 0.0061 0.5
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0091 0.0061 0.5
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0091 0.0061 0.0061
Echinococcus multilocularis allatostatin A receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis sex peptide receptor 0.0091 0.0061 0.0061
Brugia malayi larval opioid receptor 0.0091 0.0061 0.5
Echinococcus granulosus g protein coupled receptor 0.0091 0.0061 0.0061
Brugia malayi GnHR receptor homolog 0.0091 0.0061 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0091 0.0061 0.5
Echinococcus granulosus sex peptide receptor 0.0091 0.0061 0.0061
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0091 0.0061 0.5
Brugia malayi G-protein coupled receptor 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis fmrfamide receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis serotonin receptor 0.0091 0.0061 0.0061
Echinococcus granulosus tm gpcr rhodopsin 0.0091 0.0061 0.0061
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0091 0.0061 0.0061
Echinococcus granulosus G protein coupled receptor 139 0.0091 0.0061 0.0061
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0091 0.0061 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0112 0.0227 0.0227
Echinococcus granulosus neuropeptide receptor 0.0091 0.0061 0.0061
Brugia malayi Dopamine receptor protein 2 0.0091 0.0061 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0091 0.0061 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0091 0.0061 0.0061
Onchocerca volvulus 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0091 0.0061 0.0061
Echinococcus multilocularis neuropeptide receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) G-protein coupled receptor 0.0091 0.0061 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0091 0.0061 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Brugia malayi putative neuropeptide receptor 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1323 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0091 0.0061 0.0061
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Echinococcus multilocularis neuropeptides capa receptor 0.0091 0.0061 0.0061
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Brugia malayi neuropeptide F receptor 0.0091 0.0061 0.5
Echinococcus granulosus orexin receptor type 2 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0091 0.0061 0.0061
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Brugia malayi follicle stimulating hormone receptor 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0091 0.0061 0.0061
Echinococcus granulosus neuropeptide receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Mycobacterium ulcerans thymidine phosphorylase 0.1323 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0091 0.0061 0.0061
Brugia malayi G-protein coupled receptor 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0091 0.0061 0.0061
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0373 0.2338 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0091 0.0061 0.0061
Echinococcus multilocularis somatostatin receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0091 0.0061 0.5
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus neuropeptide s receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis nmda type glutamate receptor 0.0088 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0091 0.0061 0.5
Echinococcus multilocularis neuropeptide receptor 0.0091 0.0061 0.0061
Onchocerca volvulus 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Echinococcus granulosus neuropeptides capa receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus allatostatin A receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0091 0.0061 0.0061
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0091 0.0061 0.0061
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0091 0.0061 0.0061
Echinococcus multilocularis serotonin receptor 0.0091 0.0061 0.0061
Onchocerca volvulus 0.0091 0.0061 0.5
Echinococcus multilocularis g protein coupled receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis g protein coupled receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Brugia malayi ORL1-like opioid receptor 0.0091 0.0061 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0091 0.0061 0.0061
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0091 0.0061 0.0061
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0091 0.0061 0.0061
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0088 0.0033 0.0033
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0091 0.0061 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0091 0.0061 0.0061
Echinococcus granulosus g protein coupled receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0091 0.0061 0.0061
Brugia malayi Melatonin receptor type 1A 0.0091 0.0061 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0091 0.0061 0.0061
Echinococcus granulosus g-protein coupled receptor 0.0091 0.0061 0.0061
Brugia malayi RE15519p 0.0091 0.0061 0.5
Brugia malayi Serotonin receptor 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Brugia malayi Serotonin receptor 0.0091 0.0061 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0091 0.0061 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis g-protein coupled receptor 0.0091 0.0061 0.0061
Echinococcus granulosus serotonin receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) TYRA-2 protein 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Brugia malayi sulfakinin receptor protein 0.0091 0.0061 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus multilocularis fmrfamide receptor 0.0091 0.0061 0.0061
Echinococcus granulosus biogenic amine 5HT receptor 0.0091 0.0061 0.0061
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus fmrfamide receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Brugia malayi Dopamine receptor protein 1 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0112 0.0227 0.0227
Brugia malayi Dopamine receptor 0.0091 0.0061 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Echinococcus granulosus neuropeptide Y receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis dro:myosuppressin receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis g protein coupled receptor 0.0091 0.0061 0.0061
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Brugia malayi hypothetical protein 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0091 0.0061 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0091 0.0061 0.0061
Onchocerca volvulus Neuropeptide F receptor homolog 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Brugia malayi AKH receptor 0.0091 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0091 0.0061 0.0061
Echinococcus granulosus 7TM GPCR rhodopsin 0.0091 0.0061 0.0061
Loa Loa (eye worm) neuropeptide F receptor 0.0091 0.0061 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0091 0.0061 0.0061
Echinococcus granulosus 7tm_1 domain containing protein 0.0091 0.0061 0.0061
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Onchocerca volvulus 0.0091 0.0061 0.5
Echinococcus granulosus g protein coupled receptor 0.0091 0.0061 0.0061
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.0061 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0091 0.0061 0.0061
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0091 0.0061 0.0061
Echinococcus granulosus somatostatin receptor 0.0091 0.0061 0.0061
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0091 0.0061 0.0061

Activities

Activity type Activity value Assay description Source Reference
Concentration (ADMET) = 1 M Tested for the highest concentration at which toxicity was not observed or the concentration which provided the highest number of net grain counts ChEMBL. 7932571
IC50 (functional) > 200 uM Tested for the inhibitory activity against CCRF CEM T- cell leukemia cells ChEMBL. 7932571
IC50 (functional) > 200 uM Tested for the inhibitory activity against CCRF CEM T- cell leukemia cells ChEMBL. 7932571
Net grain counts (functional) = -8.9 Nuclear count minus the highest cytoplasmic count determined in rat hepatocytes for each cell ChEMBL. 7932571
Relative activity (binding) = 0 Relative potency to cause 90% of topoisomerase II-mediated cleavage of liner 8.4-kb YEPG DNA ChEMBL. 7932571
Relative activity (binding) = 0 Relative potency to cause 90% of topoisomerase II-mediated cleavage of liner 8.4-kb YEPG DNA ChEMBL. 7932571

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

1 literature reference was collected for this gene.

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