Detailed information for compound 1071408

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 465.55 | Formula: C27H27N7O
  • H donors: 1 H acceptors: 4 LogP: 3.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(=O)c1ccc2c(c1)nc1c(c2NCCn2nnc3c2cccc3)cccc1
  • InChi: 1S/C27H27N7O/c1-32-14-16-33(17-15-32)27(35)19-10-11-21-24(18-19)29-22-7-3-2-6-20(22)26(21)28-12-13-34-25-9-5-4-8-23(25)30-31-34/h2-11,18H,12-17H2,1H3,(H,28,29)
  • InChiKey: YAIBPFDYPYBECE-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
Brugia malayi Latrophilin receptor protein 2 0.005 0.0165 0.0321
Schistosoma mansoni lamin 0.0056 0.0228 0.0294
Schistosoma mansoni microtubule-associated protein tau 0.0751 0.7768 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.015 0.1248 0.2423
Echinococcus multilocularis GA binding protein alpha chain 0.0076 0.0447 0.0575
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.1336 0.2594
Loa Loa (eye worm) hypothetical protein 0.0108 0.0794 0.1542
Echinococcus granulosus lamin dm0 0.0056 0.0228 0.0294
Mycobacterium leprae conserved hypothetical protein 0.015 0.1248 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.1248 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.1248 0.2423
Schistosoma mansoni hypothetical protein 0.005 0.0165 0.0213
Onchocerca volvulus 0.0056 0.0228 0.0043
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0064 0.0313 0.0403
Mycobacterium ulcerans lipase LipD 0.015 0.1248 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0165 0.0213
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.015 0.1248 0.2423
Schistosoma mansoni lamin 0.0056 0.0228 0.0294
Loa Loa (eye worm) beta-lactamase 0.015 0.1248 0.2423
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0165 0.0321
Loa Loa (eye worm) hypothetical protein 0.0065 0.0327 0.0636
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0288 0.037
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0313 0.0403
Onchocerca volvulus 0.015 0.1248 0.2129
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0165 0.0321
Onchocerca volvulus 0.0505 0.5095 1
Leishmania major hypothetical protein, conserved 0.015 0.1248 0.5
Mycobacterium ulcerans hypothetical protein 0.015 0.1248 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0217 0.0421
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0444 0.4431 0.8605
Brugia malayi beta-lactamase 0.015 0.1248 0.2423
Loa Loa (eye worm) transcription factor SMAD2 0.051 0.5149 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.0313 0.0403
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0313 0.0403
Brugia malayi beta-lactamase family protein 0.015 0.1248 0.2423
Onchocerca volvulus 0.0056 0.0228 0.0043
Schistosoma mansoni hypothetical protein 0.005 0.0165 0.0213
Schistosoma mansoni intermediate filament proteins 0.0056 0.0228 0.0294
Echinococcus multilocularis musashi 0.0056 0.0228 0.0294
Trypanosoma brucei hypothetical protein, conserved 0.015 0.1248 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.1248 0.2423
Onchocerca volvulus 0.0064 0.0313 0.0217
Schistosoma mansoni hypothetical protein 0.005 0.0165 0.0213
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0165 0.0213
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0165 0.0213
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0313 0.0403
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0165 0.0213
Brugia malayi Ets-domain containing protein 0.0076 0.0447 0.0868
Plasmodium vivax hypothetical protein, conserved 0.015 0.1248 1
Schistosoma mansoni gabp alpha 0.0076 0.0447 0.0575
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.0313 0.0403
Echinococcus multilocularis lamin dm0 0.0056 0.0228 0.0294
Brugia malayi Pre-SET motif family protein 0.0444 0.4431 0.8605
Echinococcus multilocularis microtubule associated protein 2 0.0751 0.7768 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0313 0.0403
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.015 0.1248 0.1606
Onchocerca volvulus 0.015 0.1248 0.2129
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.0228 0.0443
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.1336 0.2594
Loa Loa (eye worm) fli-1 protein 0.0231 0.2123 0.4123
Echinococcus multilocularis lamin 0.0056 0.0228 0.0294
Loa Loa (eye worm) hypothetical protein 0.0064 0.0313 0.0608
Echinococcus granulosus intermediate filament protein 0.0056 0.0228 0.0294
Echinococcus granulosus GA binding protein alpha chain 0.0076 0.0447 0.0575
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.0794 0.1542
Toxoplasma gondii ABC1 family protein 0.015 0.1248 1
Mycobacterium ulcerans esterase/lipase LipP 0.015 0.1248 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.051 0.5149 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.1336 0.2594
Loa Loa (eye worm) hypothetical protein 0.015 0.1248 0.2423
Mycobacterium ulcerans beta-lactamase 0.015 0.1248 0.5
Mycobacterium leprae Probable lipase LipE 0.015 0.1248 0.5
Echinococcus granulosus tumor protein p63 0.0368 0.3611 0.4649
Onchocerca volvulus 0.015 0.1248 0.2129
Loa Loa (eye worm) hypothetical protein 0.015 0.1248 0.2423
Loa Loa (eye worm) hypothetical protein 0.0056 0.0228 0.0443
Loa Loa (eye worm) hypothetical protein 0.0158 0.1336 0.2594
Loa Loa (eye worm) intermediate filament protein 0.0056 0.0228 0.0443
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.015 0.1248 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0207 0.0267
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.1248 0.5
Echinococcus granulosus GPCR family 2 0.005 0.0165 0.0213
Brugia malayi Pre-SET motif family protein 0.0064 0.0313 0.0608
Schistosoma mansoni hypothetical protein 0.005 0.0165 0.0213
Loa Loa (eye worm) hypothetical protein 0.005 0.0165 0.0321
Brugia malayi Fli-1 protein 0.0231 0.2123 0.4123
Schistosoma mansoni ets-related 0.0231 0.2123 0.2733
Brugia malayi Ets-domain containing protein 0.0076 0.0447 0.0868
Echinococcus granulosus microtubule associated protein 2 0.0751 0.7768 1
Brugia malayi beta-lactamase family protein 0.015 0.1248 0.2423
Schistosoma mansoni hypothetical protein 0.0108 0.0794 0.1022
Echinococcus granulosus lamin 0.0056 0.0228 0.0294
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.0228 0.0443
Loa Loa (eye worm) hypothetical protein 0.0054 0.0207 0.0402
Brugia malayi MH2 domain containing protein 0.051 0.5149 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.015 0.1248 0.1606
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0076 0.0447 0.0868
Echinococcus granulosus beta LACTamase domain containing family member 0.015 0.1248 0.1606
Loa Loa (eye worm) hypothetical protein 0.015 0.1248 0.2423
Loa Loa (eye worm) hypothetical protein 0.015 0.1248 0.2423
Echinococcus multilocularis tumor protein p63 0.0368 0.3611 0.4649
Echinococcus multilocularis beta LACTamase domain containing family member 0.015 0.1248 0.1606
Echinococcus multilocularis GPCR, family 2 0.005 0.0165 0.0213
Trichomonas vaginalis set domain proteins, putative 0.0505 0.5095 1
Brugia malayi intermediate filament protein 0.0056 0.0228 0.0443

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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