Detailed information for compound 1938424

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.463 | Formula: C20H29N3O3
  • H donors: 0 H acceptors: 2 LogP: 0.85 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1COC2(CN1Cc1ccccn1)CCN(CC2)CC1CCOCC1
  • InChi: 1S/C20H29N3O3/c24-19-15-26-20(16-23(19)14-18-3-1-2-8-21-18)6-9-22(10-7-20)13-17-4-11-25-12-5-17/h1-3,8,17H,4-7,9-16H2
  • InChiKey: RIMULYAQGAVCAO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni hypothetical protein 0.004 0.0325 0.0304
Brugia malayi Calcitonin receptor-like protein seb-1 0.0175 0.3775 0.375
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0148 0.3079 0.3051
Schistosoma mansoni hypothetical protein 0.012 0.2363 0.2485
Echinococcus granulosus GPCR family 2 0.0055 0.0725 0.0732
Brugia malayi RNA recognition motif domain containing protein 0.0148 0.3079 0.3051
Echinococcus multilocularis importin subunit beta 1 0.0033 0.016 0.0128
Plasmodium falciparum ataxin-2 like protein, putative 0.0089 0.1569 0.1822
Brugia malayi RNA, U transporter 1 0.0095 0.1723 0.1689
Brugia malayi latrophilin 2 splice variant baaae 0.012 0.2363 0.2332
Echinococcus multilocularis GPCR, family 2 0.0055 0.0725 0.0732
Loa Loa (eye worm) latrophilin receptor protein 2 0.0055 0.0725 0.0687
Brugia malayi Pax transcription factor protein 2 0.0278 0.6388 0.6374
Trichomonas vaginalis importin beta-1, putative 0.0027 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.042 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0089 0.1569 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0055 0.0725 0.0687
Schistosoma mansoni tar DNA-binding protein 0.0148 0.3079 0.3251
Toxoplasma gondii LsmAD domain-containing protein 0.0089 0.1569 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.037 0.0353
Entamoeba histolytica hypothetical protein 0.0042 0.037 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0 0.5
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.004 0.0325 0.0304
Schistosoma mansoni tar DNA-binding protein 0.0148 0.3079 0.3251
Echinococcus multilocularis snurportin 1 0.0355 0.8362 0.8903
Schistosoma mansoni hypothetical protein 0.0396 0.9388 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.1569 0.1535
Plasmodium vivax ataxin-2 like protein, putative 0.0089 0.1569 0.1822
Echinococcus granulosus tar DNA binding protein 0.0148 0.3079 0.3251
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0355 0.8362 0.8356
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0055 0.0725 0.0732
Entamoeba histolytica hypothetical protein 0.0042 0.037 1
Schistosoma mansoni hypothetical protein 0.0055 0.0725 0.0732
Schistosoma mansoni tar DNA-binding protein 0.0148 0.3079 0.3251
Schistosoma mansoni tar DNA-binding protein 0.0148 0.3079 0.3251
Echinococcus granulosus importin subunit beta 1 0.0033 0.016 0.0128
Loa Loa (eye worm) pax transcription factor protein 2 0.0278 0.6388 0.6374
Echinococcus multilocularis geminin 0.0396 0.9388 1
Schistosoma mansoni tar DNA-binding protein 0.0148 0.3079 0.3251
Brugia malayi RNA binding protein 0.0148 0.3079 0.3051
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0337 0.789 0.5
Brugia malayi hypothetical protein 0.0089 0.1569 0.1535
Loa Loa (eye worm) RNA binding protein 0.0148 0.3079 0.3051
Trypanosoma cruzi PAB1-binding protein , putative 0.0089 0.1569 1
Brugia malayi Importin beta-1 subunit 0.0033 0.016 0.012
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0055 0.0725 0.0732
Loa Loa (eye worm) hypothetical protein 0.0033 0.016 0.012
Brugia malayi Latrophilin receptor protein 2 0.0055 0.0725 0.0687
Schistosoma mansoni hypothetical protein 0.0055 0.0725 0.0732
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0337 0.789 0.5
Treponema pallidum hypothetical protein 0.0337 0.789 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0089 0.1569 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0175 0.3775 0.375
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0 0.5
Entamoeba histolytica hypothetical protein 0.0042 0.037 1
Schistosoma mansoni hypothetical protein 0.0042 0.037 0.0353
Echinococcus granulosus snurportin 1 0.0355 0.8362 0.8903
Schistosoma mansoni hypothetical protein 0.0396 0.9388 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.037 0.0353
Brugia malayi hypothetical protein 0.0042 0.037 0.0331
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0055 0.0725 0.0732
Loa Loa (eye worm) hypothetical protein 0.012 0.2363 0.2332
Schistosoma mansoni hypothetical protein 0.0055 0.0725 0.0732
Brugia malayi TAR-binding protein 0.0148 0.3079 0.3051
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0337 0.789 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.3775 0.375
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.004 0.0325 0.0304
Schistosoma mansoni hypothetical protein 0.0355 0.8362 0.8903
Echinococcus multilocularis tar DNA binding protein 0.0148 0.3079 0.3251
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0055 0.0725 0.0732
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0175 0.3775 0.375
Brugia malayi hypothetical protein 0.0057 0.0769 0.0732
Loa Loa (eye worm) hypothetical protein 0.0055 0.0725 0.0687
Echinococcus granulosus geminin 0.0396 0.9388 1
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.037 0.0353
Plasmodium falciparum ataxin-2 like protein, putative 0.0089 0.1569 0.1822
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0337 0.789 1
Schistosoma mansoni hypothetical protein 0.0055 0.0725 0.0732
Loa Loa (eye worm) MH2 domain-containing protein 0.042 1 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0337 0.789 0.5
Leishmania major hypothetical protein, conserved 0.0089 0.1569 1
Entamoeba histolytica hypothetical protein 0.0042 0.037 1
Schistosoma mansoni importin beta-1 0.0033 0.016 0.0128
Loa Loa (eye worm) TAR-binding protein 0.0148 0.3079 0.3051
Onchocerca volvulus 0.0278 0.6388 0.5

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.