Detailed information for compound 821727

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 442.576 | Formula: C26H26N4OS
  • H donors: 0 H acceptors: 3 LogP: 4.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC(CC1)n1c(CCc2ccccc2)nc2c1nccc2)C=Cc1cccs1
  • InChi: 1S/C26H26N4OS/c31-25(13-11-22-8-5-19-32-22)29-17-14-21(15-18-29)30-24(12-10-20-6-2-1-3-7-20)28-23-9-4-16-27-26(23)30/h1-9,11,13,16,19,21H,10,12,14-15,17-18H2/b13-11+
  • InChiKey: RAZJUXMDYSSDKA-ACCUITESSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0383 0.0383
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Brugia malayi Smad1 0.0018 0.0024 0.0087
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0213 0.0768
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0678 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0678 0.0567
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0383 0.0383
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0024 0.0087
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0024 0.0358
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0383 0.0269
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.1056 0.3805
Loa Loa (eye worm) transcription factor SMAD2 0.0261 0.2776 1
Echinococcus granulosus smad 0.0018 0.0024 0.0358
Brugia malayi MH2 domain containing protein 0.0018 0.0024 0.0087
Echinococcus granulosus GPCR family 2 0.0035 0.0213 0.3147
Echinococcus multilocularis Smad4 0.0018 0.0024 0.0358
Echinococcus granulosus Smad4 0.0018 0.0024 0.0358
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0678 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0024 0.0358
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.1056 0.3805
Brugia malayi Probable ClpP-like protease 0.0076 0.0678 0.2441
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0213 0.0768
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0678 1
Schistosoma mansoni hypothetical protein 0.0035 0.0213 0.3147
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0024 0.0358
Brugia malayi MH1 domain containing protein 0.0018 0.0024 0.0087
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0024 0.0358
Echinococcus multilocularis GPCR, family 2 0.0035 0.0213 0.3147
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0678 0.0567
Loa Loa (eye worm) hypothetical protein 0.0075 0.0666 0.2399
Loa Loa (eye worm) hypothetical protein 0.0076 0.0678 0.2441
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0213 0.3147
Echinococcus multilocularis smad 0.0018 0.0024 0.0358
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0213 0.3147
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0901 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0118 0.0118
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0678 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0024 0.0087
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0213 0.3147
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0678 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0666 0.2399
Loa Loa (eye worm) hypothetical protein 0.0109 0.1056 0.3805
Schistosoma mansoni smad1 5 8 and 0.0018 0.0024 0.0358
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0678 0.0678
Toxoplasma gondii hypothetical protein 0.0026 0.0118 0.1734
Loa Loa (eye worm) MH2 domain-containing protein 0.0261 0.2776 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0678 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0213 0.0768
Brugia malayi MH2 domain containing protein 0.0018 0.0024 0.0087
Loa Loa (eye worm) Smad1 0.0018 0.0024 0.0087
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0383 0.5655
Schistosoma mansoni smad 0.0018 0.0024 0.0358
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0901 1 1
Brugia malayi MH2 domain containing protein 0.0261 0.2776 1
Brugia malayi MH1 domain containing protein 0.0018 0.0024 0.0087
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0901 1 1
Schistosoma mansoni Smad4 0.0018 0.0024 0.0358
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0678 0.5
Schistosoma mansoni hypothetical protein 0.0075 0.0666 0.9829
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.1056 0.3805
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0678 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0118 0.0118
Schistosoma mansoni smad1 5 8 and 0.0018 0.0024 0.0358
Loa Loa (eye worm) hypothetical protein 0.0035 0.0213 0.0768
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0213 0.3147
Schistosoma mansoni hypothetical protein 0.0035 0.0213 0.3147
Treponema pallidum hypothetical protein 0.0901 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0678 0.0678
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0213 0.3147
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0901 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0213 0.3147
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0024 0.0358
Schistosoma mansoni smad1 5 8 and 0.0018 0.0024 0.0358
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0383 0.5655

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.