Detailed information for compound 1571845

Basic information

Technical information
  • TDR Targets ID: 1571845
  • Name: 1-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan -2-ylmethyl)cyclohexane-1-carboxamide
  • MW: 375.462 | Formula: C20H29N3O4
  • H donors: 3 H acceptors: 2 LogP: 2.25 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)NC1(CCCCC1)C(=O)NCC1CCCO1
  • InChi: 1S/C20H29N3O4/c1-26-17-10-4-3-9-16(17)22-19(25)23-20(11-5-2-6-12-20)18(24)21-14-15-8-7-13-27-15/h3-4,9-10,15H,2,5-8,11-14H2,1H3,(H,21,24)(H2,22,23,25)
  • InChiKey: MUIXSEIBYNGDHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(2-methoxyphenyl)carbamoylamino]-N-(tetrahydrofuran-2-ylmethyl)cyclohexane-1-carboxamide
  • 1-[[[(2-methoxyphenyl)amino]-oxomethyl]amino]-N-(2-tetrahydrofuranylmethyl)-1-cyclohexanecarboxamide
  • 1-[(2-methoxyphenyl)carbamoylamino]-N-(tetrahydrofurfuryl)cyclohexane-1-carboxamide
  • ASN 08830952

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0245 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0116 0.4178 0.4178
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0116 0.4178 0.4178
Brugia malayi Nuclear hormone receptor E75 0.0116 0.4178 0.4178
Echinococcus granulosus Nuclear hormone receptor HR96 0.0116 0.4178 0.4178
Brugia malayi nuclear receptor RXR 0.0116 0.4178 0.4178
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0116 0.4178 0.4178
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0245 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0245 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.013 0.4802 0.4802
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0116 0.4178 0.4178
Loa Loa (eye worm) nuclear hormone receptor 0.0116 0.4178 0.4178
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0116 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0255 0.0255
Schistosoma mansoni retinoid-x-receptor (RXR) 0.013 0.4802 0.4802
Schistosoma mansoni nuclear receptor nhr-48 0.0116 0.4178 0.4178
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0245 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0116 0.4178 0.4178
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.013 0.4802 0.4802
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0245 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0245 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0116 0.4178 0.4178
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0245 1 1
Brugia malayi ecdysone receptor 0.0116 0.4178 0.4178
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Brugia malayi hypothetical protein 0.013 0.4802 0.4802
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0245 1 1
Toxoplasma gondii exonuclease III APE 0.0023 0 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0116 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Brugia malayi steroid hormone receptor 0.0245 1 1
Brugia malayi hypothetical protein 0.0116 0.4178 0.4178
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0116 0.4178 0.4178
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0245 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Echinococcus multilocularis nuclear receptor nhr 48 0.0116 0.4178 0.4178
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0245 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0245 1 1
Brugia malayi Cytochrome P450 family protein 0.0028 0.0255 0.0255
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0116 0.4178 0.4178
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0245 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.013 0.4802 0.4802
Brugia malayi Nuclear hormone receptor-like 1 0.0245 1 1
Brugia malayi nuclear hormone receptor 0.0116 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.013 0.4802 0.4802
Schistosoma mansoni nuclear receptor 0.0116 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Brugia malayi nuclear hormone receptor 0.0245 1 1
Brugia malayi nuclear receptor RXR 0.013 0.4802 0.4802
Loa Loa (eye worm) DR-78 0.0116 0.4178 0.4178
Brugia malayi hypothetical protein 0.013 0.4802 0.4802
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0245 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0116 0.4178 0.4178
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0245 1 1
Brugia malayi Nuclear hormone receptor E75 0.0116 0.4178 0.4178
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0245 1 1
Brugia malayi nuclear receptor NHR-67 0.0116 0.4178 0.4178
Loa Loa (eye worm) steroid hormone receptor 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.013 0.4802 0.4802
Brugia malayi orphan nuclear receptor NR2E1 0.0116 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0245 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0245 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0245 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0245 1 1
Echinococcus granulosus FTZ F1 alpha 0.0245 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0245 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0245 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0245 1 1
Brugia malayi hypothetical protein 0.0116 0.4178 0.4178
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0245 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0245 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Brugia malayi Nuclear hormone receptor-like 1 0.013 0.4802 0.4802
Schistosoma mansoni nuclear receptor 0.0116 0.4178 0.4178
Echinococcus multilocularis thyroid hormone receptor alpha 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Brugia malayi nuclear receptor NHR-88 0.0245 1 1
Brugia malayi nuclear receptor NHR-88 0.0116 0.4178 0.4178
Brugia malayi Steroid receptor seven-up type 2 0.0245 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0245 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Onchocerca volvulus Bile acid receptor homolog 0.0245 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Schistosoma mansoni nuclear hormone receptor 0.0116 0.4178 0.4178
Schistosoma mansoni zinc finger protein 0.0116 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Brugia malayi tailless protein 0.0116 0.4178 0.4178
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0245 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0245 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0245 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0116 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0245 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0245 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0245 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.013 0.4802 0.4802
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0245 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0245 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.013 0.4802 0.4802
Schistosoma mansoni thyroid hormone receptor 0.0245 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0116 0.4178 0.4178
Brugia malayi nuclear hormone receptor family member odr-7 0.0116 0.4178 0.4178
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0245 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.013 0.4802 0.4802
Schistosoma mansoni nuclear hormone receptor 0.0116 0.4178 0.4178
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.013 0.4802 0.4802
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Brugia malayi conserved hypotetical protein 0.0116 0.4178 0.4178
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0245 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.013 0.4802 0.4802
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0245 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0245 1 1
Schistosoma mansoni nuclear hormone receptor 0.0245 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0116 0.4178 0.4178
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0245 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.4178 0.4178
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0245 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0116 0.4178 0.4178
Onchocerca volvulus 0.0245 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0116 0.4178 0.4178
Schistosoma mansoni coup transcription factor 0.0245 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2378 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.