Detailed information for compound 1269691

Basic information

Technical information
  • TDR Targets ID: 1269691
  • Name: 2-cyclohexyl-N-(3,5-dimethylphenyl)-3-oxo-1H- isoindole-4-carboxamide
  • MW: 362.465 | Formula: C23H26N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(cc(c1)C)NC(=O)c1cccc2c1C(=O)N(C2)C1CCCCC1
  • InChi: 1S/C23H26N2O2/c1-15-11-16(2)13-18(12-15)24-22(26)20-10-6-7-17-14-25(23(27)21(17)20)19-8-4-3-5-9-19/h6-7,10-13,19H,3-5,8-9,14H2,1-2H3,(H,24,26)
  • InChiKey: DZNLXYVAFICEGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-cyclohexyl-N-(3,5-dimethylphenyl)-3-oxo-isoindoline-4-carboxamide
  • 2-cyclohexyl-N-(3,5-dimethylphenyl)-3-oxo-4-isoindolinecarboxamide
  • 2-cyclohexyl-N-(3,5-dimethylphenyl)-3-keto-isoindoline-4-carboxamide
  • C430-5104
  • NCGC00108499-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Trichomonas vaginalis fk506-binding protein, putative 0.0248 0.4087 0.4087
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0248 0.4087 0.5
Echinococcus multilocularis fk506 binding protein 0.0248 0.4087 1
Schistosoma mansoni immunophilin 0.0248 0.4087 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0248 0.4087 0.4087
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0248 0.4087 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0248 0.4087 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1027 0.1027
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0248 0.4087 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1027 0.1027
Schistosoma mansoni immunophilin 0.0248 0.4087 1
Leishmania major fk506-binding protein 1-like protein 0.0248 0.4087 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0248 0.4087 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis immunophilin, putative 0.0248 0.4087 0.4087
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0248 0.4087 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0248 0.4087 0.3503
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0248 0.4087 0.5
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0248 0.4087 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0248 0.4087 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0248 0.4087 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0248 0.4087 0.5
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0248 0.4087 0.5
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0248 0.4087 0.4087
Loa Loa (eye worm) FKBP5 protein 0.0248 0.4087 0.3503
Leishmania major peptidylprolyl isomerase-like protein 0.0248 0.4087 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0248 0.4087 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0248 0.4087 0.5
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0248 0.4087 0.5
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0248 0.4087 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0248 0.4087 0.5
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0248 0.4087 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 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) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 11.6891 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) 25.9185 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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