Detailed information for compound 146629

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 293.403 | Formula: C20H23NO
  • H donors: 0 H acceptors: 0 LogP: 4.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)CCOc1ccc2c(c1)Cc1c2cccc1
  • InChi: 1S/C20H23NO/c1-4-10-21(11-5-1)12-13-22-18-8-9-20-17(15-18)14-16-6-2-3-7-19(16)20/h2-3,6-9,15H,1,4-5,10-14H2
  • InChiKey: PJXDXUAOGAIRGD-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
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.2394 0.4257
Plasmodium vivax glutathione reductase, putative 0.0056 0.2427 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0512 0.06
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0512 0.06
Trypanosoma brucei polo-like protein kinase 0.0113 0.5351 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0512 0.06
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0819 0.0819
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0242 0.0351
Echinococcus granulosus tar DNA binding protein 0.0076 0.3423 0.3423
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0512 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.2427 0.2985
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0512 0.0596
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0512 0.06
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0819 0.1187
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0512 0.0512
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0512 0.06
Plasmodium falciparum glutathione reductase 0.0056 0.2427 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0113 0.5351 0.776
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.038 0.1416
Brugia malayi MH2 domain containing protein 0.0142 0.6896 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0512 0.1969
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0512 0.06
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0143 0.6928 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0142 0.6896 1
Loa Loa (eye worm) glutathione reductase 0.0056 0.2427 0.3519
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0512 0.06
Loa Loa (eye worm) RNA binding protein 0.0076 0.3423 0.4963
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1726 0.1726
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0512 0.06
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0819 0.1197
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0512 0.06
Loa Loa (eye worm) transcription factor SMAD2 0.0142 0.6896 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1726 0.1726
Entamoeba histolytica hypothetical protein 0.0043 0.1726 0.2959
Brugia malayi Thioredoxin reductase 0.0056 0.2427 0.3519
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0042 0.0061
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0129 0.6182 0.8837
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0512 0.06
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0512 0.06
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0512 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0113 0.5351 0.5351
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3423 0.4963
Plasmodium falciparum glutathione reductase 0.002 0.0512 0.1969
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.2427 1
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.5351 1
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.5351 1
Loa Loa (eye worm) RecQ helicase 0.0025 0.0819 0.1187
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0512 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.5351 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0042 0.0061
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0512 0.06
Mycobacterium tuberculosis Probable dehydrogenase 0.0129 0.6182 0.8837
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.2427 0.3519
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3423 0.4963
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0512 0.06
Schistosoma mansoni kinase 0.0057 0.2472 0.2472
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.2427 0.2427
Schistosoma mansoni hypothetical protein 0.0202 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0143 0.6928 1
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.5351 1
Brugia malayi glutathione reductase 0.0056 0.2427 0.3519
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.5351 0.5351
Schistosoma mansoni hypothetical protein 0.0202 1 1
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.054 0.054
Plasmodium falciparum thioredoxin reductase 0.002 0.0512 0.1969
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0512 0.0512
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0042 0.0042
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0512 0.06
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0512 0.06
Brugia malayi RNA binding protein 0.0076 0.3423 0.4963
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.5351 1
Brugia malayi TAR-binding protein 0.0076 0.3423 0.4963
Onchocerca volvulus Serine\/threonine kinase homolog 0.0113 0.5351 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0061
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0512 0.0885
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0512 0.0742
Entamoeba histolytica hypothetical protein 0.0043 0.1726 0.2959
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.2394 0.4257
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.2427 0.432
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0042 0.0042
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0042 0.0000000010426
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0042 0.0061
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0512 0.0596
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0512 0.1969
Trypanosoma cruzi polo-like protein kinase, putative 0.0113 0.5351 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0512 0.1969
Giardia lamblia Kinase, PLK 0.0113 0.5351 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0512 0.06
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0512 0.06
Entamoeba histolytica hypothetical protein 0.0043 0.1726 0.2959
Echinococcus multilocularis geminin 0.0202 1 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0042 0.0042
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1726 0.1726
Entamoeba histolytica hypothetical protein 0.0043 0.1726 0.2959
Leishmania major trypanothione reductase 0.0056 0.2427 0.432
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0512 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0512 0.1969
Mycobacterium tuberculosis Probable reductase 0.0129 0.6182 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Schistosoma mansoni DNA helicase recq1 0.001 0.0042 0.0042
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0512 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0042 0.0042
Trypanosoma cruzi polo-like protein kinase, putative 0.0113 0.5351 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0658 0.2583
Toxoplasma gondii thioredoxin reductase 0.0056 0.2427 1
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0819 0.1197
Schistosoma mansoni DNA helicase recq5 0.001 0.0042 0.0042
Trypanosoma brucei trypanothione reductase 0.0056 0.2427 0.432
Echinococcus granulosus bloom syndrome protein 0.0025 0.0819 0.0819
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0512 0.0512
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0242 0.0351
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3423 0.3423
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0129 0.6182 0.8837
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0113 0.5351 0.5351
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.5351 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3423 0.4963
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0143 0.6928 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0113 0.5351 1
Treponema pallidum NADH oxidase 0.002 0.0512 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0512 0.06
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0512 0.06
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.2427 0.2427
Plasmodium falciparum thioredoxin reductase 0.0056 0.2427 1
Schistosoma mansoni hypothetical protein 0.0043 0.1726 0.1726
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0143 0.6928 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0551 0.0799
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0129 0.6182 0.8837
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0129 0.6182 0.8837
Entamoeba histolytica serine/threonine protein kinase, putative 0.0113 0.5351 1
Brugia malayi hypothetical protein 0.0043 0.1726 0.2503
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0512 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.5351 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0113 0.5351 0.776

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 20 % In vitro inhibitory activity against Histamine H3 receptor at a concentration of 1 ug/mL ChEMBL. 12182878
Inhibition (binding) = 20 % In vitro inhibitory activity against Histamine H3 receptor at a concentration of 1 ug/mL ChEMBL. 12182878

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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