Detailed information for compound 1459640

Basic information

Technical information
  • TDR Targets ID: 1459640
  • Name: N-[(4-tert-butylcyclohexylidene)amino]furan-2 -carboxamide
  • MW: 262.347 | Formula: C15H22N2O2
  • H donors: 1 H acceptors: 1 LogP: 3.22 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccco1)N/N=C/1\CCC(CC1)C(C)(C)C
  • InChi: 1S/C15H22N2O2/c1-15(2,3)11-6-8-12(9-7-11)16-17-14(18)13-5-4-10-19-13/h4-5,10-11H,6-9H2,1-3H3,(H,17,18)/b16-12-
  • InChiKey: AKSSLUXCSVHFQG-VBKFSLOCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-tert-butylcyclohexylidene)amino]-2-furancarboxamide
  • N-[(4-tert-butylcyclohexylidene)amino]-2-furamide
  • STK316336
  • ZINC00355698
  • AK-968/15604552

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0218 0.0585 0.1533
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0218 0.0585 1
Brugia malayi hypothetical protein 0.0106 0.022 0.0206
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0218 0.0585 1
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.3094 1 1
Trypanosoma cruzi Aph-1 protein, putative 0.1205 0.3819 1
Echinococcus multilocularis Nicastrin 0.0106 0.022 0.022
Brugia malayi Presenilin spe-4 0.0076 0.0122 0.0108
Echinococcus multilocularis presenilin enhancer 2 0.0204 0.0541 0.0541
Brugia malayi Presenilin spe-4 0.0076 0.0122 0.0108
Toxoplasma gondii hypothetical protein 0.0076 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.022 0.0099
Brugia malayi Presenilin family protein 0.0218 0.0585 0.0572
Entamoeba histolytica hypothetical protein 0.0043 0.0015 0.0249
Echinococcus multilocularis Nicastrin 0.0106 0.022 0.022
Trypanosoma cruzi Aph-1 protein, putative 0.1205 0.3819 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0015 0.0015
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0218 0.0585 0.1533
Entamoeba histolytica hypothetical protein 0.0043 0.0015 0.0249
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0218 0.0585 0.0572
Entamoeba histolytica hypothetical protein 0.0043 0.0015 0.0249
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0015 0.0015
Brugia malayi Presenilin-like protein At2g29900 0.0076 0.0122 0.0108
Schistosoma mansoni gamma-secretase subunit aph-1 0.3094 1 1
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0204 0.0541 0.0425
Brugia malayi hypothetical protein 0.0106 0.022 0.0206
Echinococcus granulosus Nicastrin 0.0106 0.022 0.022
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0218 0.0585 0.1533
Echinococcus granulosus presenilin 0.0218 0.0585 0.0585
Echinococcus multilocularis gamma secretase subunit aph 1 0.3094 1 1
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0218 0.0585 1
Trypanosoma brucei Aph-1 protein, putative 0.1205 0.3819 1
Brugia malayi Presenilin spe-4 0.0076 0.0122 0.0108
Brugia malayi hypothetical protein 0.0076 0.0122 0.0108
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3078 0.3078
Schistosoma mansoni hypothetical protein 0.0106 0.022 0.0206
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0062 0.0074 0.0193
Entamoeba histolytica presenilin 1 peptidase, putative 0.0218 0.0585 1
Brugia malayi hypothetical protein 0.0076 0.0122 0.0108
Echinococcus granulosus gamma secretase subunit aph 1 0.3094 1 1
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0218 0.0585 1
Brugia malayi gamma-secretase subunit pen-2 0.0204 0.0541 0.0528
Entamoeba histolytica hypothetical protein 0.0043 0.0015 0.0249
Echinococcus multilocularis presenilin 0.0218 0.0585 0.0585
Echinococcus granulosus presenilin enhancer 2 0.0204 0.0541 0.0541
Brugia malayi hypothetical protein 0.0076 0.0122 0.0108

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 16.3535 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) 16.5113 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) 18.526 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) 32.6294 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] 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

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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