Detailed information for compound 1078341

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.512 | Formula: C26H27N3O
  • H donors: 2 H acceptors: 1 LogP: 4.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc2c1[nH]c(n2)c1ccc(cc1)c1cccc(c1)CNCC1CCCO1
  • InChi: 1S/C26H27N3O/c1-18-5-2-9-24-25(18)29-26(28-24)21-12-10-20(11-13-21)22-7-3-6-19(15-22)16-27-17-23-8-4-14-30-23/h2-3,5-7,9-13,15,23,27H,4,8,14,16-17H2,1H3,(H,28,29)
  • InChiKey: XFHPOUFOMGBUAC-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
Schistosoma mansoni hypothetical protein 0.0034 0.0339 0.026
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0081 0.0111
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0081 0.0111
Schistosoma mansoni hypothetical protein 0.0191 0.2599 0.2538
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0254 0.0349
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0192 0.2607 0.5
Onchocerca volvulus Glucosylceramidase homolog 0.0341 0.474 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0049 0.0065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0504 0.0426
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.2607 0.2884
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.2607 0.2884
Loa Loa (eye worm) hypothetical protein 0.0016 0.0081 0.0108
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.1959 0.3871
Echinococcus multilocularis lamin 0.0028 0.0254 0.0253
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0562 0.0767
Loa Loa (eye worm) hypothetical protein 0.0027 0.0247 0.0336
Echinococcus granulosus dnaJ subfamily B 0.0462 0.6473 0.6473
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0706 0.0585
Brugia malayi intermediate filament protein 0.0028 0.0254 0.0349
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0081 0.0079
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.1959 0.3871
Loa Loa (eye worm) hypothetical protein 0.0049 0.0562 0.0767
Schistosoma mansoni hypothetical protein 0.0462 0.6473 0.6445
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0254 0.0346
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.2607 0.2884
Echinococcus granulosus GPCR family 2 0.0016 0.0081 0.0079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0504 0.0426
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0504 0.0426
Schistosoma mansoni cpg binding protein 0.0034 0.0349 0.0271
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0192 0.2607 0.5
Schistosoma mansoni hypothetical protein 0.0191 0.2599 0.2538
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0339 0.0465
Echinococcus multilocularis cpg binding protein 0.0034 0.0349 0.0347
Onchocerca volvulus 0.0192 0.2607 0.5245
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0059 0.0706 0.0585
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0192 0.2607 0.357
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.5003 0.6518
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0081 0.0079
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0504 0.0502
Echinococcus granulosus cpg binding protein 0.0034 0.0349 0.0347
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.052 0.7299 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0192 0.2607 0.3572
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0504 0.0502
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.2607 0.2884
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0081 0.0079
Echinococcus granulosus intermediate filament protein 0.0028 0.0254 0.0253
Echinococcus granulosus lamin 0.0028 0.0254 0.0253
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Echinococcus multilocularis musashi 0.0028 0.0254 0.0253
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.007 0.0094
Schistosoma mansoni lamin 0.0028 0.0254 0.0175
Echinococcus granulosus geminin 0.0191 0.2599 0.2597
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0192 0.2607 0.5
Echinococcus multilocularis geminin 0.0191 0.2599 0.2597
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0504 0.069
Echinococcus granulosus lamin dm0 0.0028 0.0254 0.0253
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0504 0.0502
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0562 0.077
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0504 0.0688
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0081 0.0108
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.1959 0.349
Trypanosoma brucei mitochondrial DNA polymerase beta 0.031 0.4297 1
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.007 0.0097
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0055
Loa Loa (eye worm) hypothetical protein 0.0034 0.0339 0.0462
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0049 0.0048
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.4297 1
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Echinococcus multilocularis GPCR, family 2 0.0016 0.0081 0.0079
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0192 0.2607 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.4297 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0254 0.0346
Mycobacterium tuberculosis Conserved hypothetical protein 0.0163 0.2196 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0049 0.0048
Schistosoma mansoni lamin 0.0028 0.0254 0.0175
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0504 0.0502
Schistosoma mansoni intermediate filament proteins 0.0028 0.0254 0.0175
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0619 0.0358
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.052 0.7299 1
Schistosoma mansoni cpg binding protein 0.0032 0.0323 0.0244
Echinococcus multilocularis lamin dm0 0.0028 0.0254 0.0253
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0738 1
Schistosoma mansoni cpg binding protein 0.0034 0.0349 0.0271
Echinococcus multilocularis dnaJ subfamily B 0.0462 0.6473 0.6473
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0562 0.077
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.2607 0.2884
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.5003 0.6518
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0323 0.044
Leishmania major mitochondrial DNA polymerase beta 0.031 0.4297 1
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0254 0.0346
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0843 0.0769
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0706 0.0585
Onchocerca volvulus 0.0032 0.0323 0.0152
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0081 0.0079
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Brugia malayi CXXC zinc finger family protein 0.0032 0.0323 0.0442
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.2607 0.2884

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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