Detailed information for compound 1251282

Basic information

Technical information
  • TDR Targets ID: 1251282
  • Name: N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxam ide
  • MW: 272.299 | Formula: C15H16N2O3
  • H donors: 1 H acceptors: 3 LogP: 2.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCC1)NN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C15H16N2O3/c18-13(10-6-2-1-3-7-10)16-17-14(19)11-8-4-5-9-12(11)15(17)20/h4-5,8-10H,1-3,6-7H2,(H,16,18)
  • InChiKey: PFFHRBUTQAWNFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-dioxoisoindolin-2-yl)cyclohexanecarboxamide
  • N-(1,3-dioxo-2-isoindolinyl)cyclohexanecarboxamide
  • N-(1,3-diketoisoindolin-2-yl)cyclohexanecarboxamide
  • MLS000575898
  • N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexanecarboxamide
  • SMR000196929
  • AN-329/40926428
  • ARONIS005029
  • STK122152
  • ZINC00358528

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0031 0.0848 0.0848
Leishmania major importin beta-1 subunit, putative 0.0023 0.0557 1
Brugia malayi N-terminal motif family protein 0.0183 0.604 0.9692
Schistosoma mansoni tar DNA-binding protein 0.0189 0.6232 0.6232
Echinococcus multilocularis snurportin 1 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.3156 0.3156
Schistosoma mansoni hypothetical protein 0.0067 0.2088 0.2088
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0031 0.0848 0.0848
Entamoeba histolytica Ran family GTPase 0.0021 0.0485 0.8712
Schistosoma mansoni hypothetical protein 0.0031 0.0848 0.0848
Echinococcus granulosus tar DNA binding protein 0.0189 0.6232 0.6232
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0848 0.0848
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0088 0.0088
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0848 0.1361
Schistosoma mansoni tar DNA-binding protein 0.0189 0.6232 0.6232
Schistosoma mansoni dishevelled 0.0009 0.0088 0.0088
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0088 0.0088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1292 0.1292
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0088 0.0088
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0088 0.0088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.3156 0.5064
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0485 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.3156 0.3156
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0088 0.0088
Brugia malayi RNA, U transporter 1 0.008 0.2503 0.4016
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0088 0.0142
Schistosoma mansoni importin beta-1 0.0028 0.0738 0.0738
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0189 0.6232 0.6232
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0738 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0088 0.0142
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0088 0.0088
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0557 1
Schistosoma mansoni tar DNA-binding protein 0.0189 0.6232 0.6232
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0485 0.8712
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0848 0.0848
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.3156 0.5064
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0738 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0848 0.0848
Brugia malayi hypothetical protein 0.0009 0.0088 0.0142
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0485 0.0485
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0088 0.0088
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0714 0.0714
Brugia malayi RNA recognition motif domain containing protein 0.0189 0.6232 1
Plasmodium falciparum importin beta, putative 0.0028 0.0738 1
Schistosoma mansoni dep domain containing protein 0.0009 0.0088 0.0088
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0088 0.0088
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0738 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0557 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0485 0.0485
Loa Loa (eye worm) hypothetical protein 0.0009 0.0088 0.0088
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0485 0.8712
Loa Loa (eye worm) TAR-binding protein 0.0189 0.6232 0.6232
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0485 0.6107
Plasmodium vivax importin-beta 2, putative 0.0028 0.0738 1
Echinococcus granulosus GPCR family 2 0.0031 0.0848 0.0848
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0485 0.0485
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1292 0.1292
Schistosoma mansoni tar DNA-binding protein 0.0189 0.6232 0.6232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1292 0.1292
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1292 0.1292
Echinococcus granulosus importin subunit beta 1 0.0028 0.0738 0.0738
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0557 1
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0088 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1292 0.1292
Brugia malayi TAR-binding protein 0.0189 0.6232 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0848 0.0848
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0738 0.0738
Loa Loa (eye worm) RNA binding protein 0.0189 0.6232 0.6232
Schistosoma mansoni hypothetical protein 0.0299 1 1
Schistosoma mansoni ran 0.0021 0.0485 0.0485
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1292 0.2072
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0848 0.1361
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1292 0.1292
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0088 0.0142
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0088 0.0088
Brugia malayi hypothetical protein 0.0009 0.0088 0.0142
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0088 0.0088
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0009 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0031 0.0848 0.0848
Brugia malayi Importin beta-1 subunit 0.0028 0.0738 0.1184
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0848 0.0848
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.604 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0848 0.0848
Brugia malayi RNA binding protein 0.0189 0.6232 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0088 0.0088
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0485 0.0778
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.2088 0.335
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1292 0.1292
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0088 0.0088
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0088 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0189 0.6232 0.6232
Onchocerca volvulus 0.0009 0.0088 0.0146
Loa Loa (eye worm) hypothetical protein 0.0028 0.0738 0.0738
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0088 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1292 0.1292
Loa Loa (eye worm) hypothetical protein 0.0183 0.604 0.604
Trichomonas vaginalis ran, putative 0.0021 0.0485 0.8712
Echinococcus multilocularis tar DNA binding protein 0.0189 0.6232 0.6232
Schistosoma mansoni dishevelled 0.0009 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0067 0.2088 0.2088
Loa Loa (eye worm) hypothetical protein 0.0031 0.0848 0.0848
Brugia malayi Cytochrome P450 family protein 0.0027 0.0714 0.1146
Schistosoma mansoni ran 0.0021 0.0485 0.0485
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0557 1
Entamoeba histolytica hypothetical protein 0.0023 0.0557 1
Brugia malayi DIX domain containing protein 0.0009 0.0088 0.0142

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No 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) 1.0418 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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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