Detailed information for compound 647217

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.431 | Formula: C20H25N3O3
  • H donors: 1 H acceptors: 1 LogP: 3.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(C=NN2CCN(CC2)c2ccccc2OC)ccc1O
  • InChi: 1S/C20H25N3O3/c1-3-26-20-14-16(8-9-18(20)24)15-21-23-12-10-22(11-13-23)17-6-4-5-7-19(17)25-2/h4-9,14-15,24H,3,10-13H2,1-2H3/b21-15-
  • InChiKey: LCVPUZSSIUHCTP-QNGOZBTKSA-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 Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.2591 1
Trypanosoma brucei metacaspase MCA2 0.0052 0.2591 1
Trypanosoma cruzi metacaspase, putative 0.0052 0.2591 1
Trypanosoma cruzi metacaspase, putative 0.0052 0.2591 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.2299 0.2596
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.1966 0.7588
Brugia malayi TAR-binding protein 0.0064 0.3494 0.5691
Toxoplasma gondii TIM10 family protein, putative 0.0048 0.2333 0.9004
Leishmania major trypanothione reductase 0.0048 0.2299 0.8872
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.7701 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0043 0.1966 0.222
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0052 0.2591 1
Schistosoma mansoni caspase-7 (C14 family) 0.01 0.614 0.614
Brugia malayi Thioredoxin reductase 0.0048 0.2299 0.3744
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.2591 1
Onchocerca volvulus Cell death protein 3 homolog 0.01 0.614 1
Echinococcus granulosus caspase 8 0.0052 0.2591 0.2926
Loa Loa (eye worm) RNA binding protein 0.0064 0.3494 0.3661
Schistosoma mansoni caspase-3 (C14 family) 0.0137 0.8855 0.8855
Trypanosoma brucei Metacaspase-4 0.0052 0.2591 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3494 0.3494
Echinococcus multilocularis tar DNA binding protein 0.0064 0.3494 0.3946
Echinococcus multilocularis caspase 0.0137 0.8855 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0052 0.2591 0.422
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.2591 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0043 0.1966 0.3202
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.2333 0.9004
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0043 0.1966 0.1966
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.6806 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3494 0.3494
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.2591 1
Leishmania major metacaspase, putative 0.0052 0.2591 1
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.2333 0.9004
Echinococcus granulosus caspase 2 0.01 0.614 0.6934
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0052 0.2591 0.2591
Brugia malayi hypothetical protein 0.0048 0.2329 0.3794
Schistosoma mansoni caspase-7 (C14 family) 0.0137 0.8855 0.8855
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.2591 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0043 0.1966 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0137 0.8855 1
Trypanosoma cruzi metacaspase 5, putative 0.0052 0.2591 1
Plasmodium falciparum thioredoxin reductase 0.0048 0.2299 0.8872
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.2591 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.2299 0.2985
Plasmodium falciparum metacaspase-like protein 0.0052 0.2591 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0043 0.1966 0.222
Loa Loa (eye worm) hypothetical protein 0.01 0.614 1
Plasmodium vivax glutathione reductase, putative 0.0048 0.2299 0.8872
Echinococcus multilocularis caspase 3 0.0085 0.5045 0.5697
Echinococcus granulosus expressed protein 0.0048 0.2333 0.2635
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.6806 0.8837
Trypanosoma cruzi metacaspase 5, putative 0.0052 0.2591 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.7701 1
Plasmodium falciparum metacaspase 1 0.0052 0.2591 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.2591 1
Trypanosoma cruzi metacaspase, putative 0.0052 0.2591 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0 0.5
Brugia malayi Cell death protein 3 precursor 0.01 0.614 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.6806 0.8837
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0043 0.1966 0.1966
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0137 0.8855 1
Echinococcus granulosus caspase 3 0.0085 0.5045 0.5697
Echinococcus granulosus tar DNA binding protein 0.0064 0.3494 0.3946
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0043 0.1966 0.7588
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.1966 0.7588
Brugia malayi glutathione reductase 0.0048 0.2299 0.3744
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.2591 1
Loa Loa (eye worm) glutathione reductase 0.0048 0.2299 0.0797
Echinococcus multilocularis caspase 8 0.0052 0.2591 0.2926
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.2591 1
Mycobacterium tuberculosis Probable reductase 0.0109 0.6806 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3494 0.3494
Echinococcus multilocularis apoptotic protease activating factor 1 0.0048 0.2329 0.2631
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.7701 1
Plasmodium falciparum glutathione reductase 0.0048 0.2299 0.8872
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Trypanosoma brucei trypanothione reductase 0.0048 0.2299 0.8872
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.3494 0.5691
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0048 0.2333 0.38
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.2591 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0 0.5
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0043 0.1966 0.222
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.1966 0.7588
Loa Loa (eye worm) hypothetical protein 0.0052 0.2591 0.1497
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.6806 0.8837
Echinococcus granulosus caspase 0.0137 0.8855 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0052 0.2591 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3494 0.3494
Loa Loa (eye worm) TAR-binding protein 0.0064 0.3494 0.3661
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.1966 0.7588
Echinococcus granulosus apoptotic protease activating factor 1 0.0048 0.2329 0.2631
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0043 0.1966 0.222
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.2299 0.0797
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.1966 0.7588
Echinococcus multilocularis expressed protein 0.0048 0.2333 0.2635
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.2591 1
Plasmodium vivax metacaspase 1, putative 0.0052 0.2591 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3494 0.3494
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.3494 0.3661
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0043 0.1966 0.222
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.2591 1
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.2333 0.9004
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0048 0.2333 0.0879
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0052 0.2591 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0043 0.1966 0.5
Trypanosoma brucei metacaspase MCA3 0.0052 0.2591 1
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0048 0.2333 0.2333
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.2591 1
Echinococcus granulosus ubiquitin specific protease 41 0.0043 0.1966 0.222
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.2299 0.8872
Trypanosoma brucei metacaspase 5, putative 0.0052 0.2591 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.6806 0.8837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.2299 0.2596
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.2299 0.8872
Brugia malayi RNA binding protein 0.0064 0.3494 0.5691
Schistosoma mansoni hypothetical protein 0.0048 0.2329 0.2329
Echinococcus multilocularis caspase 2 0.01 0.614 0.6934
Trypanosoma brucei metacaspase 0.0052 0.2591 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.1966 0.7588
Trypanosoma cruzi metacaspase, putative 0.0052 0.2591 1
Toxoplasma gondii thioredoxin reductase 0.0048 0.2299 0.8872
Loa Loa (eye worm) hypothetical protein 0.0048 0.2329 0.0871
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.2591 1
Treponema pallidum NADH oxidase 0.0017 0 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.2591 1
Plasmodium vivax hypothetical protein, conserved 0.0052 0.2591 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.7701 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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