Detailed information for compound 821729

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 454.563 | Formula: C28H30N4O2
  • H donors: 0 H acceptors: 3 LogP: 4.49 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(C(=O)N1CCC(CC1)n1c(CCc2ccccc2)nc2c1nccc2)c1ccccc1
  • InChi: 1S/C28H30N4O2/c1-34-26(22-11-6-3-7-12-22)28(33)31-19-16-23(17-20-31)32-25(15-14-21-9-4-2-5-10-21)30-24-13-8-18-29-27(24)32/h2-13,18,23,26H,14-17,19-20H2,1H3
  • InChiKey: UGXBYVQUDQKDDY-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
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0005 0.0053
Toxoplasma gondii hypothetical protein 0.0032 0.0193 0.2162
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0173 0.0704
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0032 0.0193 0.0193
Treponema pallidum hypothetical protein 0.0896 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0173 0.1941
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0891 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0032 0.0193 0.0193
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0896 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0524 0.588
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0005 0.0019
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0005 0.0053
Schistosoma mansoni smad1 5 8 and 0.0016 0.0005 0.0053
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0896 1 1
Schistosoma mansoni Smad4 0.0016 0.0005 0.0053
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0896 1 1
Brugia malayi Smad1 0.0016 0.0005 0.0019
Brugia malayi MH2 domain containing protein 0.0232 0.2455 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0576 0.2347
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0891 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0924 0.3762
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0891 1
Schistosoma mansoni hypothetical protein 0.0031 0.0173 0.1941
Brugia malayi MH2 domain containing protein 0.0016 0.0005 0.0019
Loa Loa (eye worm) transcription factor SMAD2 0.0232 0.2455 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0891 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0173 0.1941
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0891 0.0712
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0173 0.0704
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0005 0.0019
Brugia malayi MH1 domain containing protein 0.0016 0.0005 0.0019
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0524 0.0338
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0173 0.1941
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0173 0.0704
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0891 0.0891
Schistosoma mansoni smad1 5 8 and 0.0016 0.0005 0.0053
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0891 1
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0576 0.2347
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.0924 0.3762
Brugia malayi Probable ClpP-like protease 0.0094 0.0891 0.3629
Schistosoma mansoni hypothetical protein 0.0031 0.0173 0.1941
Schistosoma mansoni smad 0.0016 0.0005 0.0053
Echinococcus granulosus GPCR family 2 0.0031 0.0173 0.1941
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0891 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.0924 0.3762
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0005 0.0053
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0891 0.0712
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.0891 0.3629
Schistosoma mansoni hypothetical protein 0.0066 0.0576 0.6466
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0173 0.1941
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0005 0.0053
Brugia malayi MH1 domain containing protein 0.0016 0.0005 0.0019
Loa Loa (eye worm) hypothetical protein 0.0031 0.0173 0.0704
Echinococcus multilocularis GPCR, family 2 0.0031 0.0173 0.1941
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0896 1 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0005 0.0053
Loa Loa (eye worm) MH2 domain-containing protein 0.0232 0.2455 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0173 0.1941
Echinococcus multilocularis smad 0.0016 0.0005 0.0053
Echinococcus granulosus smad 0.0016 0.0005 0.0053
Echinococcus granulosus Smad4 0.0016 0.0005 0.0053
Schistosoma mansoni smad1 5 8 and 0.0016 0.0005 0.0053
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0891 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0891 0.0891
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0891 1
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0524 0.588
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0 0.5
Loa Loa (eye worm) Smad1 0.0016 0.0005 0.0019
Brugia malayi MH2 domain containing protein 0.0016 0.0005 0.0019
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0524 0.0524
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.0924 0.3762
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0524 0.0524
Echinococcus multilocularis Smad4 0.0016 0.0005 0.0053
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0173 0.1941

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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