Detailed information for compound 807949

Basic information

Technical information
  • TDR Targets ID: 807949
  • Name: N-(3,3-dimethyl-2,4,5,6,7,8-hexahydroacridin- 1-ylidene)hydroxylamine
  • MW: 244.332 | Formula: C15H20N2O
  • H donors: 1 H acceptors: 2 LogP: 3.31 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/1\CC(C)(C)Cc2c1cc1CCCCc1n2
  • InChi: 1S/C15H20N2O/c1-15(2)8-13-11(14(9-15)17-18)7-10-5-3-4-6-12(10)16-13/h7,18H,3-6,8-9H2,1-2H3/b17-14+
  • InChiKey: QCQCIMQHINIDLY-SAPNQHFASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (NE)-N-(3,3-dimethyl-2,4,5,6,7,8-hexahydroacridin-1-ylidene)hydroxylamine
  • 3,3-dimethyl-2,4,5,6,7,8-hexahydroacridin-1-one oxime
  • Oprea1_638738
  • ZINC00225094
  • MLS000105572
  • SMR000102453
  • BIM-0013055.P001
  • CBMicro_012840
  • ZINC04737285
  • Oprea1_772273
  • STOCK1S-04374
  • 3,3-Dimethyl-3,4,5,6,7,8-hexahydro-2H-acridin-1-one oxime
  • BAS 00288085

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
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Neospora caninum hypothetical protein 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
Schistosoma mansoni ap endonuclease 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Trichomonas vaginalis ap endonuclease, putative 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
Schistosoma mansoni ap endonuclease 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Plasmodium yoelii putative AP endonuclease-related 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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 ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0037 0.0115 0.0115
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.1188 0.9204 0.9204
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0167 0.1139 0.3391
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Brugia malayi Bromodomain containing protein 0.0037 0.0115 0.0115
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0167 0.1139 0.1251
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0288 0.2091 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0167 0.1139 0.3391
Echinococcus granulosus fucosidase alpha L 1 tissue 0.1188 0.9204 0.9204
Loa Loa (eye worm) hypothetical protein 0.0167 0.1139 0.1139
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0288 0.2091 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0009 0.0009
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0347 0.0347
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0167 0.1139 0.5447
Schistosoma mansoni alpha glucosidase 0.0288 0.2091 0.2311
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0279 0.0279
Schistosoma mansoni hypothetical protein 0.0024 0.0009 0.001
Echinococcus granulosus RUN 0.0024 0.0009 0.0009
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0097 0.0097
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0288 0.2091 0.6226
Schistosoma mansoni lipoxygenase 0.0024 0.0009 0.001
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0347 0.0347
Trichomonas vaginalis alpha-glucosidase, putative 0.0288 0.2091 0.6226
Leishmania major glycosyl hydrolase-like protein 0.0167 0.1139 0.5447
Loa Loa (eye worm) hypothetical protein 0.0024 0.0009 0.0009
Schistosoma mansoni bromodomain containing protein 0.0062 0.0307 0.0339
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0097 0.0097
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Schistosoma mansoni alpha-glucosidase 0.1168 0.9048 1
Brugia malayi Doublecortin family protein 0.0024 0.0009 0.0009
Trypanosoma cruzi hypothetical protein, conserved 0.0288 0.2091 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0167 0.1139 0.3391
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0009 0.0009
Brugia malayi PHD-finger family protein 0.0024 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0069 0.0364 0.0364
Loa Loa (eye worm) hypothetical protein 0.0041 0.0148 0.0148
Trichomonas vaginalis alpha-glucosidase, putative 0.0167 0.1139 0.3391
Brugia malayi Glycosyl hydrolases family 31 protein 0.0167 0.1139 0.1139
Schistosoma mansoni alpha-glucosidase 0.1168 0.9048 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0133 0.0133
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0009 0.0009
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0009 0.0009
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0009 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0288 0.2091 0.2091
Echinococcus multilocularis lysosomal alpha glucosidase 0.1289 1 1
Brugia malayi hypothetical protein 0.0024 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0024 0.0009 0.0009
Trichomonas vaginalis alpha-glucosidase, putative 0.0167 0.1139 0.3391
Echinococcus multilocularis lysosomal alpha glucosidase 0.1289 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0288 0.2091 0.6226
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0448 0.3359 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0279 0.0279
Trichomonas vaginalis maltase-glucoamylase, putative 0.0167 0.1139 0.3391
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1289 1 1
Brugia malayi Alpha-L-fucosidase family protein 0.1021 0.7886 0.7886
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0167 0.1139 0.3391
Echinococcus multilocularis neutral alpha glucosidase AB 0.0288 0.2091 0.2091
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0009 0.0009
Trypanosoma brucei glucosidase, putative 0.0288 0.2091 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0448 0.3359 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0167 0.1139 0.5447
Trichomonas vaginalis alpha-glucosidase, putative 0.0288 0.2091 0.6226
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0288 0.2091 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0288 0.2091 0.6226
Schistosoma mansoni rab6-interacting 0.0024 0.0009 0.001
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0009 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0167 0.1139 0.5447
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0288 0.2091 0.2091
Loa Loa (eye worm) alpha-L-fucosidase 0.1021 0.7886 0.7886
Brugia malayi hypothetical protein 0.0024 0.0009 0.0009
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0009 0.0009
Mycobacterium ulcerans alpha-L-fucosidase 0.1188 0.9204 1
Onchocerca volvulus 0.1168 0.9048 1
Echinococcus multilocularis RUN 0.0024 0.0009 0.0009
Leishmania major alpha glucosidase II subunit, putative 0.0288 0.2091 1
Schistosoma mansoni lipoxygenase 0.0067 0.0347 0.0384
Trichomonas vaginalis alpha-glucosidase, putative 0.0288 0.2091 0.6226
Schistosoma mansoni polycystin 1-related 0.0024 0.0009 0.001
Echinococcus granulosus lysosomal alpha glucosidase 0.1289 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0288 0.2091 0.6226
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0288 0.2091 0.6226
Trypanosoma cruzi hypothetical protein, conserved 0.0288 0.2091 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0167 0.1139 0.3391
Trypanosoma brucei glycosyl hydrolase-like protein 0.0167 0.1139 0.5447
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0009 0.0009
Trichomonas vaginalis sucrase-isomaltase, putative 0.0288 0.2091 0.6226
Schistosoma mansoni alpha-l-fucosidase 0.1021 0.7886 0.8716
Brugia malayi Bromodomain containing protein 0.0073 0.0397 0.0397
Schistosoma mansoni loxhd1 0.0024 0.0009 0.001
Echinococcus granulosus neutral alpha glucosidase AB 0.0288 0.2091 0.2091
Schistosoma mansoni rab6-interacting 0.0024 0.0009 0.001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0447 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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