Detailed information for compound 1550973

Basic information

Technical information
  • TDR Targets ID: 1550973
  • Name: N-cyclohexyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydr oisoindol-2-yl)acetamide
  • MW: 290.357 | Formula: C16H22N2O3
  • H donors: 1 H acceptors: 3 LogP: 1.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)C2C(C1=O)CC=CC2)NC1CCCCC1
  • InChi: 1S/C16H22N2O3/c19-14(17-11-6-2-1-3-7-11)10-18-15(20)12-8-4-5-9-13(12)16(18)21/h4-5,11-13H,1-3,6-10H2,(H,17,19)
  • InChiKey: PTGMESSIKGMEGN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
  • N-cyclohexyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethanamide
  • SMR000295682
  • A3572/0151566
  • MLS000683924
  • N-cyclohexyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0036 0.2882 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0423 0.0423
Schistosoma mansoni brg-1 associated factor 0.0101 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0036 0.2882 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0036 0.2882 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0101 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0036 0.2882 1
Schistosoma mansoni hypothetical protein 0.0101 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.5014 0.4793
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0036 0.2882 0.2568
Echinococcus granulosus SWI:SNF matrix associated 0.0101 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0101 1 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0101 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.2882 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.5014 0.5014
Trichomonas vaginalis conserved hypothetical protein 0.0101 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.2882 1
Schistosoma mansoni hypothetical protein 0.0101 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0101 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.2882 0.2882
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.2882 1
Leishmania major hypothetical protein, conserved 0.0036 0.2882 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0036 0.2882 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.5014 0.2994
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.5014 0.2994
Leishmania major hypothetical protein, conserved 0.0036 0.2882 1
Loa Loa (eye worm) brahma associated protein 0.0101 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0101 1 1
Schistosoma mansoni hypothetical protein 0.0101 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0036 0.2882 0.2568
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0036 0.2882 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0036 0.2882 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0.0423 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0036 0.2882 0.2568
Loa Loa (eye worm) hypothetical protein 0.0036 0.2882 0.2882
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.2882 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.5014 0.2994
Trypanosoma cruzi WLM domain containing protein, putative 0.0036 0.2882 1
Brugia malayi brahma associated protein 60 kDa 0.0101 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0101 1 1
Plasmodium vivax hypothetical protein, conserved 0.0101 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.2882 0.2882
Loa Loa (eye worm) hypothetical protein 0.0036 0.2882 0.2882
Chlamydia trachomatis DNA topoisomerase I 0.0101 1 0.5
Leishmania major hypothetical protein, conserved 0.0036 0.2882 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.2882 0.2882
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0423 0.0423
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.2882 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0101 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.5014 0.2994
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.5014 0.2994
Brugia malayi YY1-associated factor 2 0.0036 0.2882 0.2568
Chlamydia trachomatis SWIB complex protein 0.0101 1 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0101 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0101 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0101 1 1
Leishmania major hypothetical protein, conserved 0.0036 0.2882 1
Leishmania major hypothetical protein, conserved 0.0036 0.2882 1
Onchocerca volvulus 0.0101 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0101 1 1
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0423 0.0423
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0036 0.2882 0.2568
Echinococcus multilocularis SWI:SNF matrix associated 0.0101 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.5014 0.2994
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0036 0.2882 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.5014 0.2994

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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