Detailed information for compound 1534672

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 380.826 | Formula: C17H21ClN4O4
  • H donors: 0 H acceptors: 3 LogP: 0.89 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN1CCN(CC1)C(=O)c1noc(c1)COc1cncc(c1)Cl
  • InChi: 1S/C17H21ClN4O4/c1-24-7-6-21-2-4-22(5-3-21)17(23)16-9-15(26-20-16)12-25-14-8-13(18)10-19-11-14/h8-11H,2-7,12H2,1H3
  • InChiKey: ASVDYYRNWYYFAZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
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 mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Theileria parva hypothetical protein 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Trichomonas vaginalis ap 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
Echinococcus multilocularis 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 brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Neospora caninum hypothetical 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0388 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0235 0.0236
Schistosoma mansoni zinc finger protein 0.0016 0.0123 0.0252
Brugia malayi Bromodomain containing protein 0.008 0.2784 0.2789
Loa Loa (eye worm) hypothetical protein 0.0034 0.0856 0.0838
Brugia malayi chromobox protein homolog 3 0.0043 0.1246 0.1249
Echinococcus multilocularis lamin 0.0029 0.0643 0.0624
Echinococcus multilocularis peregrin 0.0034 0.0846 0.0828
Loa Loa (eye worm) hypothetical protein 0.0028 0.0621 0.0602
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0772 1
Echinococcus multilocularis lamin dm0 0.0029 0.0643 0.0624
Brugia malayi jmjC domain containing protein 0.004 0.1099 0.1101
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0741 0.919
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.2102 0.2089
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0252
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0388 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.005 0.1532 0.1517
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.1099 0.1082
Brugia malayi Muscleblind-like protein 0.016 0.61 0.6111
Schistosoma mansoni jumonji domain containing protein 0.0081 0.2823 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.1099 0.3777
Brugia malayi hypothetical protein 0.0253 0.9982 1
Echinococcus multilocularis musashi 0.0029 0.0643 0.0624
Brugia malayi Pre-SET motif family protein 0.0032 0.0772 0.0773
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0045 0.1299 0.4498
Echinococcus multilocularis muscleblind protein 0.016 0.61 0.6103
Brugia malayi PHD-finger family protein 0.0027 0.0552 0.0553
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0388 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.1532 0.1517
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0229 0.0208
Brugia malayi SET domain containing protein 0.0014 0.0017 0.0017
Brugia malayi Bromodomain containing protein 0.0034 0.0846 0.0848
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0361 0.0341
Loa Loa (eye worm) hypothetical protein 0.0043 0.1246 0.123
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1951 0.1955
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0741 0.0722
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0201 0.0181
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.2124 0.2112
Plasmodium falciparum phd finger protein, putative 0.0031 0.0741 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0446 0.0426
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.9982 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0388 0.0368
Echinococcus multilocularis zinc finger protein 0.0021 0.0314 0.0294
Echinococcus granulosus jumonji domain containing protein 0.0043 0.125 0.1233
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0446 0.0426
Trichomonas vaginalis set domain proteins, putative 0.0253 1 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0741 0.2482
Giardia lamblia PHD finger protein 15 0.0031 0.0741 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1669 0.1654
Brugia malayi jmjC domain containing protein 0.0102 0.3697 0.3704
Loa Loa (eye worm) hypothetical protein 0.016 0.61 0.6103
Schistosoma mansoni ap endonuclease 0.0023 0.0388 0.1209
Loa Loa (eye worm) hypothetical protein 0.0031 0.0741 0.0722
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0085 0.0085
Schistosoma mansoni hypothetical protein 0.0041 0.1157 0.3986
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0388 1
Schistosoma mansoni hypothetical protein 0.0019 0.0235 0.0657
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.1246 0.0893
Echinococcus granulosus lamin 0.0029 0.0643 0.0624
Trichomonas vaginalis chromobox protein, putative 0.0077 0.2662 0.2365
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0235 0.0215
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.125 0.1233
Loa Loa (eye worm) hypothetical protein 0.0019 0.0235 0.0215
Schistosoma mansoni hypothetical protein 0.0052 0.1591 0.5553
Echinococcus multilocularis muscleblind protein 1 0.016 0.61 0.6103
Schistosoma mansoni intermediate filament proteins 0.0029 0.0643 0.213
Loa Loa (eye worm) hypothetical protein 0.0076 0.2594 0.2582
Echinococcus multilocularis chromobox protein 1 0.0077 0.2662 0.2651
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0741 0.919
Brugia malayi intermediate filament protein 0.0029 0.0643 0.0644
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.1246 0.0893
Loa Loa (eye worm) hypothetical protein 0.0253 0.9982 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0235 0.0215
Brugia malayi PHD-finger family protein 0.0031 0.0741 0.0742
Brugia malayi Heterochromatin protein 1 0.0077 0.2662 0.2667
Schistosoma mansoni hypothetical protein 0.0022 0.0361 0.111
Schistosoma mansoni chromobox protein 0.0077 0.2662 0.9419
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0643 0.0624
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0235 0.0215
Schistosoma mansoni hypothetical protein 0.0031 0.0741 0.2482
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0015 0.0053 0.0032
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0201 0.0181
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.1043 0.1026
Echinococcus granulosus peregrin 0.0034 0.0846 0.0828
Echinococcus granulosus survival motor neuron protein 1 0.0253 0.9982 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0201 0.0534
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0235 0.0215
Loa Loa (eye worm) hypothetical protein 0.016 0.61 0.6103
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.1043 0.1026
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1951 0.1955
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0388 0.0368
Trichomonas vaginalis chromobox protein, putative 0.0077 0.2662 0.2365
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.2102 0.2089
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.1014 0.0997
Echinococcus granulosus muscleblind protein 0.016 0.61 0.6103
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0235 0.0215
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1951 0.1938
Brugia malayi CHD4 protein 0.0015 0.0053 0.0054
Schistosoma mansoni ap endonuclease 0.0023 0.0388 0.1209
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0723 0.0704
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.1246 0.0645
Brugia malayi Bromodomain containing protein 0.0041 0.1148 0.115
Schistosoma mansoni hypothetical protein 0.0019 0.0235 0.0657
Trichomonas vaginalis chromobox protein, putative 0.0047 0.1384 0.1036
Echinococcus granulosus histone lysine methyltransferase setb 0.005 0.1532 0.1517
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.1099 0.1082
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0015 0.0053 0.0032
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0388 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0388 1
Trichomonas vaginalis chromobox protein, putative 0.0047 0.1384 0.1036
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0772 0.0753
Onchocerca volvulus 0.0052 0.1591 0.1013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0772 0.2594
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0235 0.0236
Loa Loa (eye worm) hypothetical protein 0.0041 0.1157 0.114
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.2662 0.2651
Loa Loa (eye worm) hypothetical protein 0.0029 0.0643 0.0624
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0388 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0741 0.0722
Echinococcus granulosus chromobox protein 1 0.0077 0.2662 0.2651
Schistosoma mansoni lamin 0.0029 0.0643 0.213
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1157 0.1159
Onchocerca volvulus Alhambra homolog 0.0031 0.0741 0.0104
Onchocerca volvulus 0.0045 0.1299 0.0701
Schistosoma mansoni hypothetical protein 0.0019 0.0235 0.0657
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.1384 0.0791
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0643 0.0644
Echinococcus multilocularis GPCR, family 2 0.0019 0.0235 0.0215
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0102 0.3697 0.3691
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.8718 0.8731
Echinococcus granulosus GPCR family 2 0.0019 0.0235 0.0215
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0719 0.0345
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0201 0.0534
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.1532 0.5339
Echinococcus granulosus lamin dm0 0.0029 0.0643 0.0624
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0741 0.0722
Echinococcus granulosus zinc finger protein 0.0021 0.0314 0.0294
Echinococcus granulosus intermediate filament protein 0.0029 0.0643 0.0624
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0388 0.0389
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.1532 0.5339
Schistosoma mansoni survival motor neuron protein 0.0052 0.1591 0.5553
Loa Loa (eye worm) CHromoDomain protein family member 0.0015 0.0053 0.0032
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0388 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0741 0.919
Schistosoma mansoni chromobox protein 0.0077 0.2662 0.9419
Schistosoma mansoni lamin 0.0029 0.0643 0.213
Onchocerca volvulus 0.0034 0.0856 0.0228
Loa Loa (eye worm) hypothetical protein 0.0044 0.1257 0.1241
Schistosoma mansoni zinc finger protein 0.0021 0.0314 0.094
Plasmodium vivax SET domain protein, putative 0.0032 0.0772 1
Schistosoma mansoni hypothetical protein 0.0019 0.0235 0.0657
Loa Loa (eye worm) hypothetical protein 0.006 0.1951 0.1938
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0085 0.0064
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0102 0.3697 0.3691
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0446 0.1418
Echinococcus granulosus chromobox protein 1 0.0077 0.2662 0.2651
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0388 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.1099 0.3777
Schistosoma mansoni bromodomain containing protein 0.0068 0.2262 0.7975
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0388 0.0368
Brugia malayi Pre-SET motif family protein 0.0222 0.8718 0.8734
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0719 0.0345
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.1591 0.1594
Loa Loa (eye worm) hypothetical protein 0.0046 0.1342 0.1326
Echinococcus multilocularis chromobox protein 1 0.0077 0.2662 0.2651
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0643 0.0624
Loa Loa (eye worm) hypothetical protein 0.0041 0.1152 0.1135

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8888 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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