Detailed information for compound 682956

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.471 | Formula: C21H27N5O3
  • H donors: 0 H acceptors: 3 LogP: 2.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)N1CCN(CC1)c1nc(C)cc(n1)N1CCOCC1
  • InChi: 1S/C21H27N5O3/c1-16-15-19(24-11-13-29-14-12-24)23-21(22-16)26-9-7-25(8-10-26)20(27)17-5-3-4-6-18(17)28-2/h3-6,15H,7-14H2,1-2H3
  • InChiKey: OKUPTKGXLHGOKN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.9493 1
Schistosoma mansoni chromobox protein 0.0144 0.534 0.7041
Echinococcus multilocularis chromobox protein 2 0.0024 0.0065 0.0069
Brugia malayi Bromodomain containing protein 0.0075 0.2325 0.2449
Trypanosoma cruzi polo-like protein kinase, putative 0.0196 0.7585 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0024 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0049 0.1193 0.1256
Onchocerca volvulus 0.0024 0.0065 0.0065
Echinococcus multilocularis acetylcholinesterase 0.0131 0.4755 0.5009
Onchocerca volvulus Serine\/threonine kinase homolog 0.0196 0.7585 0.7585
Echinococcus granulosus acetylcholinesterase 0.0131 0.4755 0.5009
Trichomonas vaginalis chromobox protein, putative 0.0024 0.0065 0.0065
Echinococcus granulosus carboxylesterase 5A 0.0131 0.4755 0.5009
Echinococcus granulosus peregrin 0.0032 0.0427 0.0449
Brugia malayi Valyl-tRNA synthetase 0.0024 0.0065 0.0069
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0594 0.0626
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0065 0.0065
Onchocerca volvulus 0.0055 0.1448 0.1448
Trichomonas vaginalis chromobox protein, putative 0.0144 0.534 0.534
Brugia malayi hypothetical protein 0.0239 0.9493 1
Trichomonas vaginalis chromobox protein, putative 0.0087 0.2837 0.2837
Brugia malayi PHD-finger family protein 0.003 0.0323 0.034
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0024 0.0065 0.0065
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0364 0.0384
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0069
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0069
Loa Loa (eye worm) hypothetical protein 0.0081 0.2569 0.2706
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.2569 0.2569
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0024 0.0065 0.0065
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.1164 0.1534
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0415 0.2198
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0024 0.0065 0.0086
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0024 0.0065 0.0065
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0024 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0131 0.4755 0.5009
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0087 0.2837 0.2837
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.7585 0.7585
Onchocerca volvulus 0.0024 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0041 0.0821 0.0865
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.3266 0.3266
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0065 0.0065
Schistosoma mansoni serine/threonine protein kinase 0.0196 0.7585 1
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0024 0.0065 0.0069
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0024 0.0065 0.0069
Entamoeba histolytica hypothetical protein 0.0035 0.0559 0.0656
Brugia malayi hypothetical protein 0.0024 0.0065 0.0069
Schistosoma mansoni hypothetical protein 0.018 0.6878 0.9069
Brugia malayi PHD-finger family protein 0.0025 0.0126 0.0133
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0069
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0828 0.0872
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1657 1
Schistosoma mansoni chromobox protein 0.0024 0.0065 0.0086
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0024 0.0065 0.0086
Trichomonas vaginalis chromobox protein, putative 0.0024 0.0065 0.0065
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0196 0.7585 0.799
Trichomonas vaginalis hypothetical protein 0.0024 0.0065 0.0065
Schistosoma mansoni jumonji domain containing protein 0.0077 0.2389 0.3149
Entamoeba histolytica serine/threonine protein kinase, putative 0.0196 0.7585 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0026 0.0149 0.0157
Onchocerca volvulus 0.0063 0.1805 0.1805
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1657 0.2185
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0024 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0039 0.0717 0.0755
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.1696 0.1786
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0415 0.0547
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.7585 0.7585
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1657 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0196 0.7585 0.5
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0323 0.034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.1164 0.1534
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.061 0.0643
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0024 0.0065 0.0065
Entamoeba histolytica hypothetical protein 0.0035 0.0559 0.0656
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1193 0.1256
Echinococcus multilocularis acetylcholinesterase 0.0131 0.4755 0.5009
Echinococcus multilocularis carboxylesterase 5A 0.0131 0.4755 0.5009
Loa Loa (eye worm) hypothetical protein 0.0051 0.1244 0.131
Loa Loa (eye worm) acetylcholinesterase 1 0.0131 0.4755 0.5009
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0196 0.7585 0.799
Entamoeba histolytica hypothetical protein 0.0035 0.0559 0.0656
Brugia malayi Carboxylesterase family protein 0.0131 0.4755 0.5009
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.2569 0.2569
Schistosoma mansoni hypothetical protein 0.0034 0.0509 0.0672
Giardia lamblia Kinase, PLK 0.0196 0.7585 1
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.7585 0.7585
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0559 0.0737
Loa Loa (eye worm) hypothetical protein 0.0239 0.9493 1
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0065 0.0065
Brugia malayi serine/threonine-protein kinase plk-2 0.0196 0.7585 0.799
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0196 0.7585 0.799
Echinococcus granulosus Chromo domain 0.0024 0.0065 0.0069
Echinococcus granulosus chromobox protein 2 0.0024 0.0065 0.0069
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0069
Echinococcus multilocularis chromobox protein 1 0.0144 0.534 0.5626
Loa Loa (eye worm) hypothetical protein 0.0131 0.4755 0.5009
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0415 0.0437
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0081 0.2569 0.2569
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.1164 0.1226
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0065 0.0065
Brugia malayi Bromodomain containing protein 0.0038 0.0714 0.0752
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0065 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.7585 0.7585
Schistosoma mansoni hypothetical protein 0.0024 0.0065 0.0086
Brugia malayi Protein cec-1. 0.0024 0.0065 0.0069
Brugia malayi chromobox protein homolog 3 0.0081 0.2569 0.2706
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1657 0.2185
Schistosoma mansoni hypothetical protein 0.003 0.0323 0.0425
Brugia malayi Bromodomain containing protein 0.0032 0.0427 0.0449
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0131 0.4755 0.627
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0024 0.0065 0.0086
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.7585 0.7585
Loa Loa (eye worm) hypothetical protein 0.003 0.0323 0.034
Brugia malayi SET domain containing protein 0.0025 0.0116 0.0123
Echinococcus granulosus chromobox protein 1 0.0144 0.534 0.5626
Schistosoma mansoni kinase 0.0099 0.3379 0.4455
Loa Loa (eye worm) hypothetical protein 0.0049 0.1164 0.1226
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.8669 0.9132
Brugia malayi hypothetical protein 0.0035 0.0559 0.0589
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0069
Plasmodium vivax hypothetical protein, conserved 0.003 0.0323 0.7354
Echinococcus multilocularis Chromo domain 0.0024 0.0065 0.0069
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0023 0.0024
Trichomonas vaginalis set domain proteins, putative 0.0251 1 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0828 0.0872
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0678 0.0894
Brugia malayi Associated with TFs and helicases family protein 0.0024 0.0065 0.0069
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0024 0.0065 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0065 0.0065
Loa Loa (eye worm) carboxylesterase 0.0131 0.4755 0.5009
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0559 0.0589
Brugia malayi Pre-SET motif family protein 0.0032 0.0415 0.0437
Trichomonas vaginalis chromobox protein, putative 0.0144 0.534 0.534
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.1164 0.1226
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0678 0.0714
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.061 0.0643
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0055 0.1448 0.1909
Brugia malayi jmjC domain containing protein 0.0038 0.0678 0.0714
Loa Loa (eye worm) CHromoDomain protein family member 0.0026 0.0149 0.0157
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.1536 0.1536
Brugia malayi Heterochromatin protein 1 0.0144 0.534 0.5626
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0023 0.0024
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.9493 1
Trypanosoma brucei polo-like protein kinase 0.0196 0.7585 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.1653 0.1742
Schistosoma mansoni hypothetical protein 0.018 0.6878 0.9069
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0024 0.0065 0.0065
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0024 0.0065 0.0065
Brugia malayi Pre-SET motif family protein 0.0221 0.8669 0.9132
Echinococcus multilocularis geminin 0.018 0.6878 0.7246
Schistosoma mansoni hypothetical protein 0.0049 0.1167 0.1538
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0065 0.0065
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1657 1
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0323 0.1616
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0559 0.0589
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.1536 0.1536
Schistosoma mansoni chromobox protein 0.0144 0.534 0.7041
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0323 0.034
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1657 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0026 0.0149 0.0157
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0069
Schistosoma mansoni chromobox protein 0.0024 0.0065 0.0086
Echinococcus granulosus Chromobox protein 3 0.0024 0.0065 0.0069
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0024 0.0065 0.0065
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0023 0.003
Entamoeba histolytica hypothetical protein 0.0035 0.0559 0.0656
Brugia malayi jmjC domain containing protein 0.0097 0.3257 0.3431
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1193 0.1256
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0065 0.0065
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1193 0.1256
Loa Loa (eye worm) heterochromatin protein 1 0.0144 0.534 0.5626
Loa Loa (eye worm) hypothetical protein 0.0043 0.0905 0.0953
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0323 0.1616
Echinococcus granulosus chromobox protein 1 0.0144 0.534 0.5626
Onchocerca volvulus 0.0049 0.1167 0.1167
Onchocerca volvulus Alhambra homolog 0.003 0.0323 0.0323
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.7585 0.7585
Brugia malayi M-phase phosphoprotein, mpp8 0.0024 0.0065 0.0069
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0024 0.0065 0.0065
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0323 0.0425
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.3257 0.3431
Plasmodium falciparum phd finger protein, putative 0.003 0.0323 1
Trichomonas vaginalis chromobox protein, putative 0.0024 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0034 0.0509 0.0537
Echinococcus granulosus acetylcholinesterase 0.0131 0.4755 0.5009
Loa Loa (eye worm) hypothetical protein 0.0063 0.1805 0.1901
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0323 0.034
Loa Loa (eye worm) helicase 0.0024 0.0065 0.0069
Brugia malayi CHD4 protein 0.0026 0.0149 0.0157
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0196 0.7585 1
Echinococcus multilocularis chromobox protein 1 0.0144 0.534 0.5626
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0678 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0065 0.0065
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0026 0.0149 0.0197
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0509 0.0537
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0024 0.0065 0.0069
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0069
Brugia malayi Carboxylesterase family protein 0.0131 0.4755 0.5009
Plasmodium vivax SET domain protein, putative 0.0032 0.0415 1
Schistosoma mansoni bromodomain containing protein 0.0064 0.181 0.2387
Echinococcus granulosus geminin 0.018 0.6878 0.7246
Echinococcus multilocularis Chromobox protein 3 0.0024 0.0065 0.0069
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0678 0.0714
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.3266 0.3266
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1167 0.1229
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1657 0.1746
Loa Loa (eye worm) hypothetical protein 0.0071 0.2137 0.2251
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.7585 0.7585
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1657 1
Trichomonas vaginalis Heterochromatin protein, putative 0.0024 0.0065 0.0065
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0024 0.0065 0.0065
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.3257 0.3431
Schistosoma mansoni survival motor neuron protein 0.0049 0.1167 0.1538
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1657 0.1746
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.1653 0.1742
Schistosoma mansoni hypothetical protein 0.0035 0.0559 0.0737
Trichomonas vaginalis chromobox protein, putative 0.0087 0.2837 0.2837
Echinococcus multilocularis peregrin 0.0032 0.0427 0.0449

Activities

No activities found for this compound.

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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