Detailed information for compound 1938421

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 305.375 | Formula: C15H23N5O2
  • H donors: 0 H acceptors: 3 LogP: 0.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCc1nnc2n1CCN(CC2)Cc1c(C)noc1C
  • InChi: 1S/C15H23N5O2/c1-4-21-10-15-17-16-14-5-6-19(7-8-20(14)15)9-13-11(2)18-22-12(13)3/h4-10H2,1-3H3
  • InChiKey: YPKLULSMIWOFMV-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 tar DNA binding protein 0.0145 0.1604 0.3004
Schistosoma mansoni hypothetical protein 0.011 0.1065 0.1994
Entamoeba histolytica hypothetical protein 0.0041 0 0.5
Schistosoma mansoni smad 0.0047 0.0098 0.0183
Brugia malayi MH2 domain containing protein 0.0047 0.0098 0.0098
Toxoplasma gondii LsmAD domain-containing protein 0.0175 0.2076 1
Schistosoma mansoni tar DNA-binding protein 0.0145 0.1604 0.3004
Echinococcus granulosus geminin 0.0387 0.5339 1
Brugia malayi RNA binding protein 0.0145 0.1604 0.1604
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0055 0.0218 0.0408
Plasmodium falciparum ataxin-2 like protein, putative 0.0175 0.2076 0.4389
Echinococcus multilocularis Smad4 0.0047 0.0098 0.0183
Loa Loa (eye worm) hypothetical protein 0.0237 0.3027 0.2959
Echinococcus multilocularis geminin 0.0387 0.5339 1
Schistosoma mansoni smad1 5 8 and 0.0047 0.0098 0.0183
Brugia malayi hypothetical protein 0.0175 0.2076 0.2076
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.011 0.1065 0.1065
Brugia malayi isocitrate dehydrogenase 0.0055 0.0218 0.0218
Echinococcus multilocularis isocitrate dehydrogenase 0.0055 0.0218 0.0408
Schistosoma mansoni hypothetical protein 0.0387 0.5339 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.011 0.1065 0.1994
Loa Loa (eye worm) transcription factor SMAD2 0.0689 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.011 0.1065 0.1994
Echinococcus granulosus snurportin 1 0.0347 0.4732 0.8863
Plasmodium falciparum ataxin-2 like protein, putative 0.0175 0.2076 0.4389
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0329 0.4453 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0329 0.4453 1
Schistosoma mansoni hypothetical protein 0.0347 0.4732 0.8863
Brugia malayi hypothetical protein 0.0113 0.1118 0.1118
Loa Loa (eye worm) latrophilin receptor protein 2 0.011 0.1065 0.0977
Schistosoma mansoni smad1 5 8 and 0.0047 0.0098 0.0183
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0347 0.4732 0.468
Brugia malayi latrophilin 2 splice variant baaae 0.0237 0.3027 0.3027
Entamoeba histolytica hypothetical protein 0.0041 0 0.5
Entamoeba histolytica hypothetical protein 0.0041 0 0.5
Treponema pallidum hypothetical protein 0.0329 0.4453 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.011 0.1065 0.1994
Schistosoma mansoni tar DNA-binding protein 0.0145 0.1604 0.3004
Loa Loa (eye worm) hypothetical protein 0.011 0.1065 0.0977
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0055 0.0218 0.0408
Echinococcus multilocularis mothers against decapentaplegic 5 0.0047 0.0098 0.0183
Loa Loa (eye worm) hypothetical protein 0.0175 0.2076 0.1998
Brugia malayi MH1 domain containing protein 0.0047 0.0098 0.0098
Schistosoma mansoni tar DNA-binding protein 0.0145 0.1604 0.3004
Loa Loa (eye worm) RNA binding protein 0.0145 0.1604 0.1521
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0329 0.4453 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0047 0.0098 0.0183
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0055 0.0218 0.0408
Brugia malayi MH2 domain containing protein 0.0047 0.0098 0.0098
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0329 0.4453 0.5
Echinococcus granulosus Smad4 0.0047 0.0098 0.0183
Echinococcus multilocularis snurportin 1 0.0347 0.4732 0.8863
Trypanosoma cruzi PAB1-binding protein , putative 0.0175 0.2076 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0329 0.4453 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0145 0.1604 0.1604
Schistosoma mansoni tar DNA-binding protein 0.0145 0.1604 0.3004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0346 0.4719 0.4719
Brugia malayi Pax transcription factor protein 2 0.0271 0.3563 0.3563
Schistosoma mansoni hypothetical protein 0.0079 0.0586 0.1097
Brugia malayi RNA, U transporter 1 0.0092 0.0801 0.0801
Loa Loa (eye worm) pax transcription factor protein 2 0.0271 0.3563 0.35
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0145 0.1604 0.1521
Onchocerca volvulus 0.0271 0.3563 0.5
Leishmania major hypothetical protein, conserved 0.0175 0.2076 1
Brugia malayi Isocitrate dehydrogenase 0.0055 0.0218 0.0218
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0079 0.0586 0.1097
Echinococcus granulosus GPCR family 2 0.011 0.1065 0.1994
Brugia malayi Smad1 0.0047 0.0098 0.0098
Brugia malayi TAR-binding protein 0.0145 0.1604 0.1604
Loa Loa (eye worm) MH2 domain-containing protein 0.0689 1 1
Loa Loa (eye worm) TAR-binding protein 0.0145 0.1604 0.1521
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.011 0.1065 0.1994
Echinococcus granulosus TGF beta signal transducer SmadC 0.0047 0.0098 0.0183
Schistosoma mansoni hypothetical protein 0.0387 0.5339 1
Echinococcus multilocularis tar DNA binding protein 0.0145 0.1604 0.3004
Schistosoma mansoni Smad4 0.0047 0.0098 0.0183
Schistosoma mansoni hypothetical protein 0.011 0.1065 0.1994
Schistosoma mansoni hypothetical protein 0.011 0.1065 0.1994
Schistosoma mansoni hypothetical protein 0.011 0.1065 0.1994
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0079 0.0586 0.1097
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0346 0.4719 0.4666
Entamoeba histolytica hypothetical protein 0.0041 0 0.5
Schistosoma mansoni hypothetical protein 0.0237 0.3027 0.567
Echinococcus granulosus smad 0.0047 0.0098 0.0183
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0346 0.4719 0.4719
Plasmodium vivax ataxin-2 like protein, putative 0.0175 0.2076 0.4389
Loa Loa (eye worm) isocitrate dehydrogenase 0.0055 0.0218 0.0121
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0055 0.0218 0.0408
Echinococcus multilocularis GPCR, family 2 0.011 0.1065 0.1994
Trypanosoma cruzi PAB1-binding protein , putative 0.0175 0.2076 1
Brugia malayi MH1 domain containing protein 0.0047 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0346 0.4719 0.4666
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0047 0.0098 0.0183
Echinococcus multilocularis smad 0.0047 0.0098 0.0183
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0047 0.0098 0.0183
Trypanosoma brucei PAB1-binding protein , putative 0.0175 0.2076 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0055 0.0218 0.0408
Brugia malayi Latrophilin receptor protein 2 0.011 0.1065 0.1065
Schistosoma mansoni smad1 5 8 and 0.0047 0.0098 0.0183
Schistosoma mansoni tar DNA-binding protein 0.0145 0.1604 0.3004
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0055 0.0218 0.0408

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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