Detailed information for compound 782235

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.381 | Formula: C17H21N5O2
  • H donors: 1 H acceptors: 4 LogP: 2.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCOC(=C1C(=Nc2n(C1c1ccncc1)ncn2)C)O
  • InChi: 1S/C17H21N5O2/c1-3-4-5-10-24-16(23)14-12(2)21-17-19-11-20-22(17)15(14)13-6-8-18-9-7-13/h6-9,11,15,23H,3-5,10H2,1-2H3
  • InChiKey: UQGFECDJDNBXBF-UHFFFAOYSA-N  

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
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0389 0.0389
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0202 0.0202
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0389 0.5
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.0994 0.1612
Schistosoma mansoni hypothetical protein 0.0033 0.019 0.019
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.019 0.2351
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.2096 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0056 0.0056
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0389 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.2096 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0016 0.0056 0.0695
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0808 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.2096 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0305 0.3777
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0056 0.0056
Treponema pallidum fructose-bisphosphate aldolase 0.029 0.2096 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.2096 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.2096 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.0994 0.1612
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0056
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0056 0.0695
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0305 0.3777
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0056 0.0695
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0056 0.0695
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0797 0.5869 0.5869
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0305 0.3777
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0808 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.2096 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.2096 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0389 0.0389
Schistosoma mansoni hypothetical protein 0.0035 0.0202 0.0202
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0056
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0389 0.0389
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0056 0.0056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.2096 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0033 0.019 0.2351
Brugia malayi hypothetical protein 0.0035 0.0202 0.2503
Mycobacterium ulcerans UDP-galactopyranose mutase Glf 0.0565 0.4142 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.2096 0.5
Mycobacterium leprae Probable UDP-galactopyranose mutase Glf (UDP-galp mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0565 0.4142 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0202 0.0202
Brugia malayi MH2 domain containing protein 0.0117 0.0808 1
Mycobacterium tuberculosis UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0565 0.4142 1
Echinococcus multilocularis microtubule associated protein 2 0.1352 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.2096 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0202 0.0202
Giardia lamblia Fructose-bisphosphate aldolase 0.029 0.2096 0.5
Schistosoma mansoni microtubule-associated protein tau 0.1352 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0305 0.3777
Echinococcus granulosus GPCR family 2 0.0016 0.0056 0.0056

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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