Detailed information for compound 818866

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.476 | Formula: C21H30N2O
  • H donors: 1 H acceptors: 1 LogP: 3.75 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNCCC1CCC(=O)N1CC1(CCCC1)c1ccccc1
  • InChi: 1S/C21H30N2O/c1-2-15-22-16-12-19-10-11-20(24)23(19)17-21(13-6-7-14-21)18-8-4-3-5-9-18/h2-5,8-9,19,22H,1,6-7,10-17H2
  • InChiKey: GBVIHGZRABHJRN-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 multilocularis microtubule associated protein 2 0.0797 0.3118 0.3111
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0035 1
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.0343 0.1334
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.017 0.4318
Echinococcus granulosus microtubule associated protein 2 0.0797 0.3118 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0124 0.0114
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0111 0.0381 0.1192
Schistosoma mansoni survival motor neuron protein 0.0103 0.0345 0.1077
Schistosoma mansoni hypothetical protein 0.0047 0.0124 0.0366
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0101 0.0294
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0124 0.0114
Brugia malayi Pre-SET motif family protein 0.003 0.0054 0.021
Loa Loa (eye worm) hypothetical protein 0.0111 0.0381 0.1474
Schistosoma mansoni acetylcholinesterase 0.0111 0.0381 0.1192
Brugia malayi Pre-SET motif family protein 0.0207 0.0761 0.2962
Onchocerca volvulus 0.0111 0.0381 0.3976
Loa Loa (eye worm) acetylcholinesterase 1 0.066 0.257 1
Brugia malayi Carboxylesterase family protein 0.066 0.257 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0301 0.0935
Echinococcus granulosus neuropeptide receptor A26 0.0534 0.2068 0.6622
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0124 0.0482
Echinococcus multilocularis para nitrobenzyl esterase 0.0111 0.0381 0.0371
Echinococcus multilocularis lamin 0.0031 0.006 0.005
Loa Loa (eye worm) hypothetical protein 0.0031 0.006 0.0225
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0054 0.0141
Echinococcus granulosus neuroligin 0.0111 0.0381 0.1192
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0329 0.125 0.3988
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0329 0.125 0.3988
Schistosoma mansoni hypothetical protein 0.0196 0.0717 0.2274
Echinococcus granulosus lamin dm0 0.0031 0.006 0.016
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0002 0.0008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0301 0.0935
Echinococcus granulosus acetylcholinesterase 0.066 0.257 0.8237
Echinococcus multilocularis musashi 0.0031 0.006 0.005
Onchocerca volvulus 0.0111 0.0381 0.3976
Brugia malayi hypothetical protein 0.0503 0.1943 0.756
Leishmania major hypothetical protein, conserved 0.0025 0.0035 0.1587
Schistosoma mansoni microtubule-associated protein tau 0.0797 0.3118 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0381 0.1474
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0301 0.0935
Schistosoma mansoni BC026374 protein (S09 family) 0.0111 0.0381 0.1192
Schistosoma mansoni hypothetical protein 0.0102 0.0343 0.107
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0035 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0054 0.0044
Entamoeba histolytica hypothetical protein 0.0042 0.0101 1
Echinococcus multilocularis survival motor neuron protein 1 0.0503 0.1943 0.1935
Onchocerca volvulus 0.0031 0.006 0.0072
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0301 0.1163
Echinococcus granulosus intermediate filament protein 0.0031 0.006 0.016
Entamoeba histolytica hypothetical protein 0.0042 0.0101 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0111 0.0381 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0381 0.1474
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0035 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0054 0.274
Echinococcus multilocularis neuropeptide receptor A26 0.0534 0.2068 0.206
Brugia malayi Carboxylesterase family protein 0.0111 0.0381 0.1481
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.017 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.017 0.4318
Brugia malayi Carboxylesterase family protein 0.0111 0.0381 0.1481
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0124 0.0475
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0054 0.0141
Echinococcus multilocularis BC026374 protein (S09 family) 0.0111 0.0381 0.0371
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.0531 0.2067
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0103 0.0345 0.1342
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0111 0.0381 0.0371
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.017 1
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0329 0.125 0.1241
Echinococcus multilocularis neuropeptide s receptor 0.0534 0.2068 0.206
Loa Loa (eye worm) hypothetical protein 0.0111 0.0381 0.1474
Brugia malayi Carboxylesterase family protein 0.066 0.257 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.017 0.0515
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.005 0.0127
Loa Loa (eye worm) carboxylesterase 0.066 0.257 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0035 0.1587
Schistosoma mansoni hypothetical protein 0.0047 0.0124 0.0366
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.0531 0.2061
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.017 0.4318
Echinococcus granulosus acetylcholinesterase 0.066 0.257 0.8237
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0111 0.0381 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.0422 0.1634
Entamoeba histolytica hypothetical protein 0.0042 0.0101 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0054 0.0044
Schistosoma mansoni gliotactin 0.0111 0.0381 0.1192
Onchocerca volvulus 0.0235 0.0876 1
Loa Loa (eye worm) carboxylesterase 0.0111 0.0381 0.1474
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.001 0.0039
Loa Loa (eye worm) hypothetical protein 0.0031 0.0058 0.0216
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0035 0.5794
Loa Loa (eye worm) intermediate filament protein 0.0031 0.006 0.0225
Schistosoma mansoni hypothetical protein 0.0103 0.0345 0.1077
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0329 0.125 0.1241
Schistosoma mansoni hypothetical protein 0.0042 0.0101 0.0294
Echinococcus multilocularis acetylcholinesterase 0.066 0.257 0.2563
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0111 0.0381 0.1192
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.006 0.0233
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.017 0.016
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0124 0.0366
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.017 0.0515
Schistosoma mansoni hypothetical protein 0.0171 0.0618 0.1957
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0111 0.0381 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0101 0.0091
Onchocerca volvulus 0.0103 0.0345 0.3542
Echinococcus granulosus geminin 0.0196 0.0717 0.2274
Schistosoma mansoni hypothetical protein 0.0047 0.0124 0.0366
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0054 0.0141
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.0531 0.2067
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.001 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0035 0.013
Loa Loa (eye worm) hypothetical protein 0.0111 0.0381 0.1474
Brugia malayi hypothetical protein 0.0111 0.0381 0.1481
Brugia malayi hypothetical protein 0.0025 0.0035 0.0138
Onchocerca volvulus 0.0111 0.0381 0.3976
Entamoeba histolytica hypothetical protein 0.0042 0.0101 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0301 0.117
Echinococcus granulosus neuropeptide s receptor 0.0534 0.2068 0.6622
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0054 0.0141
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0329 0.125 0.1241
Echinococcus multilocularis lamin dm0 0.0031 0.006 0.005
Echinococcus multilocularis acetylcholinesterase 0.066 0.257 0.2563
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.017 0.4318
Brugia malayi hypothetical protein 0.0122 0.0422 0.1641
Onchocerca volvulus 0.0111 0.0381 0.3976
Echinococcus multilocularis geminin 0.0196 0.0717 0.0708
Echinococcus multilocularis carboxylesterase 5A 0.066 0.257 0.2563
Echinococcus granulosus GPCR family 2 0.0047 0.0124 0.0366
Loa Loa (eye worm) hypothetical protein 0.003 0.0054 0.0202
Loa Loa (eye worm) hypothetical protein 0.0047 0.0124 0.0475
Loa Loa (eye worm) hypothetical protein 0.0111 0.0381 0.1474
Schistosoma mansoni alkaline phosphatase 0.0329 0.125 0.3988
Echinococcus granulosus intestinal type alkaline phosphatase 0.0329 0.125 0.3988
Loa Loa (eye worm) carboxylesterase 0.0111 0.0381 0.1474
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0301 0.0935
Echinococcus granulosus alkaline phosphatase 0.0329 0.125 0.3988
Schistosoma mansoni lamin 0.0031 0.006 0.016
Schistosoma mansoni lamin 0.0031 0.006 0.016
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.001 0.5
Loa Loa (eye worm) hypothetical protein 0.066 0.257 1
Brugia malayi Carboxylesterase family protein 0.0111 0.0381 0.1481
Brugia malayi Carboxylesterase family protein 0.0111 0.0381 0.1481
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.006 0.0225
Echinococcus granulosus carboxylesterase 5A 0.066 0.257 0.8237
Echinococcus granulosus survival motor neuron protein 1 0.0503 0.1943 0.6219
Schistosoma mansoni hypothetical protein 0.0047 0.0124 0.0366
Echinococcus multilocularis neuroligin 0.0111 0.0381 0.0371
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0035 1
Echinococcus multilocularis alkaline phosphatase 0.0329 0.125 0.1241
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0111 0.0381 0.1192
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.001 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.0761 0.2957
Trichomonas vaginalis spcc417.12 protein, putative 0.0111 0.0381 0.4281
Echinococcus granulosus BC026374 protein S09 family 0.0111 0.0381 0.1192
Onchocerca volvulus 0.0031 0.006 0.0072
Trichomonas vaginalis set domain proteins, putative 0.0235 0.0876 1
Echinococcus granulosus lamin 0.0031 0.006 0.016
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.066 0.257 0.8237
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0301 0.0291
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0124 0.0482
Plasmodium vivax SET domain protein, putative 0.003 0.0054 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.0531 0.2061
Echinococcus granulosus para nitrobenzyl esterase 0.0111 0.0381 0.1192
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0054 0.0141
Onchocerca volvulus Huntingtin homolog 0.0122 0.0422 0.4476
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0301 0.0935
Schistosoma mansoni alkaline phosphatase 0.0329 0.125 0.3988
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0124 0.0366
Onchocerca volvulus 0.0111 0.0381 0.3976
Schistosoma mansoni intermediate filament proteins 0.0031 0.006 0.016
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0111 0.0381 0.4281
Schistosoma mansoni neuroligin 3 (S09 family) 0.0111 0.0381 0.1192
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0101 0.0294
Schistosoma mansoni hypothetical protein 0.0196 0.0717 0.2274
Onchocerca volvulus Huntingtin homolog 0.0122 0.0422 0.4476
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0111 0.0381 0.1192
Echinococcus multilocularis GPCR, family 2 0.0047 0.0124 0.0114
Loa Loa (eye worm) hypothetical protein 0.0111 0.0381 0.1474
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0035 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0111 0.0381 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0343 0.1327
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.001 0.0031
Loa Loa (eye worm) hypothetical protein 0.0503 0.1943 0.7558
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0301 0.0291
Brugia malayi hypothetical protein 0.0042 0.0101 0.0394
Brugia malayi intermediate filament protein 0.0031 0.006 0.0233
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.017 0.0515
Loa Loa (eye worm) hypothetical protein 0.0122 0.0422 0.1634
Loa Loa (eye worm) hypothetical protein 0.066 0.257 1

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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