Detailed information for compound 1155800

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.555 | Formula: C27H31N3
  • H donors: 0 H acceptors: 0 LogP: 5.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCN1c2ccccc2N2c3c(C1CCc1ccccc1)cccc3CC2)C
  • InChi: 1S/C27H31N3/c1-28(2)19-20-29-24(16-15-21-9-4-3-5-10-21)23-12-8-11-22-17-18-30(27(22)23)26-14-7-6-13-25(26)29/h3-14,24H,15-20H2,1-2H3
  • InChiKey: UKKFMSQUGQYCKK-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 0.0196 1 1
Onchocerca volvulus Huntingtin homolog 0.0142 0.6946 1
Schistosoma mansoni hypothetical protein 0.0039 0.1191 0.1191
Plasmodium falciparum phd finger protein, putative 0.0033 0.0833 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.195 0.195
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0833 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3096 0.3096
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.1224 0.1224
Brugia malayi jmjC domain containing protein 0.0108 0.5062 0.7289
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0833 0.0833
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0833 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.5062 0.5062
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.2812 0.4049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.195 0.195
Echinococcus multilocularis peregrin 0.0033 0.0833 0.0833
Loa Loa (eye worm) hypothetical protein 0.0039 0.1191 0.1715
Loa Loa (eye worm) hypothetical protein 0.0057 0.2161 0.3111
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.195 0.195
Brugia malayi TAR-binding protein 0.0073 0.3096 0.4457
Echinococcus multilocularis geminin 0.0196 1 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3096 0.3096
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.6742 0.9707
Echinococcus granulosus tar DNA binding protein 0.0073 0.3096 0.3096
Schistosoma mansoni hypothetical protein 0.0033 0.0833 0.0833
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.1224 0.1224
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3096 0.3096
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.1224 0.1762
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.195 0.195
Brugia malayi MH2 domain containing protein 0.0138 0.6742 0.9707
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.1224 0.1224
Echinococcus granulosus jumonji domain containing protein 0.0046 0.1561 0.1561
Brugia malayi PHD-finger family protein 0.0033 0.0833 0.1199
Brugia malayi RNA binding protein 0.0073 0.3096 0.4457
Echinococcus multilocularis tar DNA binding protein 0.0073 0.3096 0.3096
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3096 0.3096
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.2218 0.3193
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.195 0.2808
Onchocerca volvulus Huntingtin homolog 0.0142 0.6946 1
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0833 0.1199
Schistosoma mansoni jumonji domain containing protein 0.0086 0.3811 0.3811
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0833 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.2218 0.3193
Loa Loa (eye worm) TAR-binding protein 0.0073 0.3096 0.4457
Loa Loa (eye worm) hypothetical protein 0.0033 0.0833 0.1199
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.2218 0.3193
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.6742 0.9707
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0833 0.0833
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.195 0.2808
Loa Loa (eye worm) hypothetical protein 0.0142 0.6946 1
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.3096 0.4457
Giardia lamblia PHD finger protein 15 0.0033 0.0833 0.5
Echinococcus granulosus peregrin 0.0033 0.0833 0.0833
Loa Loa (eye worm) RNA binding protein 0.0073 0.3096 0.4457
Schistosoma mansoni hypothetical protein 0.0196 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.5062 0.5062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.195 0.195
Brugia malayi Bromodomain containing protein 0.0033 0.0833 0.1199
Brugia malayi hypothetical protein 0.0142 0.6946 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.2218 0.3193
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.195 0.195
Brugia malayi jmjC domain containing protein 0.004 0.1224 0.1762
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.1561 0.1561
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3096 0.3096
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.1224 0.1224
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1191 0.1715
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.3096 0.4457
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0833 0.0833
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0142 0.6946 1

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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