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
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0081 0.0108
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.4297 1
Echinococcus granulosus GPCR family 2 0.0016 0.0081 0.0079
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0706 0.0585
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0619 0.0358
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0081 0.0079
Loa Loa (eye worm) hypothetical protein 0.0013 0.0049 0.0065
Loa Loa (eye worm) hypothetical protein 0.0028 0.0254 0.0346
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0192 0.2607 0.3572
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0738 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0562 0.077
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0339 0.0465
Schistosoma mansoni hypothetical protein 0.0191 0.2599 0.2538
Onchocerca volvulus Glucosylceramidase homolog 0.0341 0.474 1
Echinococcus granulosus lamin 0.0028 0.0254 0.0253
Brugia malayi CXXC zinc finger family protein 0.0032 0.0323 0.0442
Echinococcus granulosus intermediate filament protein 0.0028 0.0254 0.0253
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0059 0.0706 0.0585
Echinococcus multilocularis dnaJ subfamily B 0.0462 0.6473 0.6473
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0192 0.2607 0.5
Echinococcus multilocularis GPCR, family 2 0.0016 0.0081 0.0079
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0049 0.0048
Echinococcus multilocularis musashi 0.0028 0.0254 0.0253
Schistosoma mansoni lamin 0.0028 0.0254 0.0175
Loa Loa (eye worm) hypothetical protein 0.0027 0.0247 0.0336
Onchocerca volvulus 0.0192 0.2607 0.5245
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.1959 0.3871
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0504 0.0502
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.2607 0.2884
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0081 0.0079
Echinococcus multilocularis lamin 0.0028 0.0254 0.0253
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.2607 0.2884
Schistosoma mansoni cpg binding protein 0.0034 0.0349 0.0271
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0504 0.0688
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0049 0.0048
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0323 0.044
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.1959 0.3871
Brugia malayi intermediate filament protein 0.0028 0.0254 0.0349
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.2607 0.2884
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.4297 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.052 0.7299 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0504 0.0426
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0562 0.0767
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Echinococcus multilocularis cpg binding protein 0.0034 0.0349 0.0347
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.007 0.0097
Echinococcus granulosus dnaJ subfamily B 0.0462 0.6473 0.6473
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0706 0.0585
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.2607 0.2884
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0055
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Schistosoma mansoni cpg binding protein 0.0034 0.0349 0.0271
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.2607 0.2884
Echinococcus multilocularis lamin dm0 0.0028 0.0254 0.0253
Loa Loa (eye worm) hypothetical protein 0.0016 0.0081 0.0108
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0192 0.2607 0.357
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0081 0.0111
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.5003 0.6518
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0081 0.0079
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0254 0.0349
Echinococcus granulosus lamin dm0 0.0028 0.0254 0.0253
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.007 0.0094
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0192 0.2607 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0504 0.0502
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0254 0.0346
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.2607 0.2884
Mycobacterium tuberculosis Conserved hypothetical protein 0.0163 0.2196 1
Onchocerca volvulus 0.0032 0.0323 0.0152
Loa Loa (eye worm) hypothetical protein 0.0049 0.0562 0.0767
Schistosoma mansoni cpg binding protein 0.0032 0.0323 0.0244
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0081 0.0111
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0504 0.0426
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.1959 0.349
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0055
Schistosoma mansoni hypothetical protein 0.0034 0.0339 0.026
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0843 0.0769
Leishmania major mitochondrial DNA polymerase beta 0.031 0.4297 1
Schistosoma mansoni hypothetical protein 0.0462 0.6473 0.6445
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.052 0.7299 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0192 0.2607 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0504 0.0502
Echinococcus granulosus geminin 0.0191 0.2599 0.2597
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0254 0.0346
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0192 0.2607 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0341 0.474 0.6119
Trypanosoma brucei mitochondrial DNA polymerase beta 0.031 0.4297 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0254 0.0175
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0562 0.077
Loa Loa (eye worm) hypothetical protein 0.0034 0.0339 0.0462
Echinococcus multilocularis geminin 0.0191 0.2599 0.2597
Schistosoma mansoni lamin 0.0028 0.0254 0.0175
Trichomonas vaginalis glucosylceramidase, putative 0.052 0.7299 1
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.5003 0.6518
Echinococcus granulosus cpg binding protein 0.0034 0.0349 0.0347
Schistosoma mansoni hypothetical protein 0.0191 0.2599 0.2538
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0081 0.0079
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0504 0.0502
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0504 0.069
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0504 0.0426

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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