Detailed information for compound 1423505

Basic information

Technical information
  • TDR Targets ID: 1423505
  • Name: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol- 2-yl)-N-(4-methoxyphenyl)cyclohexane-1-carbox amide
  • MW: 384.469 | Formula: C22H28N2O4
  • H donors: 1 H acceptors: 3 LogP: 2.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)C1CCC(CC1)N1C(=O)C2C(C1=O)CCCC2
  • InChi: 1S/C22H28N2O4/c1-28-17-12-8-15(9-13-17)23-20(25)14-6-10-16(11-7-14)24-21(26)18-4-2-3-5-19(18)22(24)27/h8-9,12-14,16,18-19H,2-7,10-11H2,1H3,(H,23,25)
  • InChiKey: HAHYNVPFDHIPGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methoxyphenyl)-1-cyclohexanecarboxamide
  • 4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
  • BAS 03604549

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
Brugia malayi RNA recognition motif domain containing protein 0.0197 0.2545 0.2545
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0023 0.0023
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0067 0.0717 1
Echinococcus multilocularis tar DNA binding protein 0.0197 0.2545 0.8454
Schistosoma mansoni hypothetical protein 0.0229 0.3006 0.4426
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2545 0.3742
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0067 0.0717 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0067 0.0717 0.2325
Loa Loa (eye worm) hypothetical protein 0.0495 0.6763 0.6755
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0067 0.0717 1
Toxoplasma gondii isocitrate dehydrogenase 0.0067 0.0717 1
Brugia malayi hypothetical protein 0.0018 0.0023 0.0023
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2545 0.3742
Schistosoma mansoni hypothetical protein 0.0229 0.3006 0.4426
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0067 0.0717 0.1029
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0067 0.0717 0.2325
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0127 0.149
Brugia malayi hypothetical protein 0.0018 0.0023 0.0023
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2545 0.3742
Brugia malayi TAR-binding protein 0.0197 0.2545 0.2545
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0229 0.3006 0.3006
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0067 0.0717 0.5
Schistosoma mansoni hypothetical protein 0.0229 0.3006 0.4426
Echinococcus granulosus GPCR family 2 0.0229 0.3006 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0067 0.0717 0.2325
Loa Loa (eye worm) hypothetical protein 0.0366 0.4938 0.4926
Loa Loa (eye worm) hypothetical protein 0.0025 0.0127 0.0104
Schistosoma mansoni hypothetical protein 0.0495 0.6763 1
Echinococcus multilocularis GPCR, family 2 0.0229 0.3006 1
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2545 0.3742
Brugia malayi Latrophilin receptor protein 2 0.0229 0.3006 0.3006
Brugia malayi Isocitrate dehydrogenase 0.0067 0.0717 0.0717
Loa Loa (eye worm) latrophilin receptor protein 2 0.0229 0.3006 0.299
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0067 0.0717 0.2325
Brugia malayi N-terminal motif family protein 0.0366 0.4938 0.4938
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0067 0.0717 1
Loa Loa (eye worm) TAR-binding protein 0.0197 0.2545 0.2528
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0023 0.0023
Brugia malayi Calcitonin receptor-like protein seb-1 0.0724 1 1
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2545 0.3742
Brugia malayi DIX domain containing protein 0.0018 0.0023 0.0023
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0197 0.2545 0.2528
Loa Loa (eye worm) hypothetical protein 0.0229 0.3006 0.299
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0067 0.0717 0.2325
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0229 0.3006 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0067 0.0717 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0229 0.3006 1
Brugia malayi RNA binding protein 0.0197 0.2545 0.2545
Loa Loa (eye worm) RNA binding protein 0.0197 0.2545 0.2528
Echinococcus granulosus tar DNA binding protein 0.0197 0.2545 0.8454
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0229 0.3006 1
Brugia malayi isocitrate dehydrogenase 0.0067 0.0717 0.0717
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0023 0.0023
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0366 0.4938 1
Schistosoma mansoni hypothetical protein 0.0229 0.3006 0.4426
Loa Loa (eye worm) isocitrate dehydrogenase 0.0067 0.0717 0.0695
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0067 0.0717 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0229 0.3006 1
Brugia malayi hypothetical protein 0.0025 0.0127 0.0127
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0067 0.0717 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0067 0.0717 0.2325
Loa Loa (eye worm) hypothetical protein 0.0724 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0495 0.6763 0.6763
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0724 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0067 0.0717 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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