Detailed information for compound 685615

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.538 | Formula: C21H29N3O3S
  • H donors: 0 H acceptors: 4 LogP: 4.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nn(c(c1S(=O)(=O)N1CCCCC1)C)C(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C21H29N3O3S/c1-15-19(28(26,27)23-13-7-6-8-14-23)16(2)24(22-15)20(25)17-9-11-18(12-10-17)21(3,4)5/h9-12H,6-8,13-14H2,1-5H3
  • InChiKey: XRXWMFQECXGHIL-UHFFFAOYSA-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
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0012 0.0081 1
Schistosoma mansoni hypothetical protein 0.0015 0.0159 0.0159
Echinococcus granulosus cpg binding protein 0.003 0.0524 0.0524
Echinococcus multilocularis cpg binding protein 0.003 0.0524 0.0524
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0011 0.0047 0.063
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.329 0.329
Brugia malayi jmjC domain containing protein 0.0093 0.2154 0.4013
Echinococcus granulosus aryl hydrocarbon receptor 0.0012 0.0081 0.0081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1012 0.1885
Schistosoma mansoni hypothetical protein 0.0015 0.0159 0.0159
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0665 0.124
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0012 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0009 0.0003 0.0003
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1289 0.1289
Schistosoma mansoni hypothetical protein 0.0029 0.0494 0.0494
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0159 0.0297
Echinococcus multilocularis peregrin 0.0032 0.0583 0.0583
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0012 0.0081 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.2154 0.2154
Echinococcus granulosus jumonji domain containing protein 0.004 0.078 0.078
Schistosoma mansoni jumonji domain containing protein 0.0074 0.1663 0.1663
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0041 0.0041
Echinococcus granulosus GPCR family 2 0.0015 0.0159 0.0159
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0831 0.6841
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0012 0.0081 0.5
Echinococcus multilocularis vesicular acetylcholine transporter 0.0219 0.5368 0.5368
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0012 0.0081 0.0081
Brugia malayi PHD-finger family protein 0.0029 0.0494 0.092
Loa Loa (eye worm) hypothetical protein 0.0012 0.0081 0.0151
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0689 0.0689
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0494 0.4067
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0742 1
Schistosoma mansoni hypothetical protein 0.0015 0.0159 0.0159
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0009 0.0003 0.0024
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0181 0.0181
Onchocerca volvulus 0.0035 0.0665 0.1106
Loa Loa (eye worm) hypothetical protein 0.0015 0.0159 0.0297
Loa Loa (eye worm) hypoxia-induced factor 1 0.0147 0.3532 0.658
Schistosoma mansoni hypothetical protein 0.0033 0.0617 0.0617
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0648 0.0648
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0012 0.0081 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0494 0.0494
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0831 1
Echinococcus granulosus peregrin 0.0032 0.0583 0.0583
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0082
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0689 0.0689
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0159 0.0297
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0831 0.6841
Onchocerca volvulus Alhambra homolog 0.0029 0.0494 0.0782
Mycobacterium leprae Possible regulatory protein 0.0012 0.0081 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0617 0.115
Brugia malayi hypothetical protein 0.016 0.3849 0.717
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0009 0.0003 1
Schistosoma mansoni cpg binding protein 0.003 0.0524 0.0524
Loa Loa (eye worm) hypothetical protein 0.016 0.3849 0.717
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.0982 0.0982
Loa Loa (eye worm) hypothetical protein 0.0049 0.1015 0.1891
Onchocerca volvulus 0.0028 0.0483 0.0761
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0159 0.0159
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0665 0.5
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0665 0.0665
Schistosoma mansoni vesicular acetylcholine transporter 0.0219 0.5368 0.5368
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0012 0.0081 0.0151
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0012 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1012 0.1885
Echinococcus granulosus single minded 2 0.0035 0.0665 0.0665
Schistosoma mansoni single-minded 0.0048 0.0982 0.0982
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0219 0.5368 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0159 0.0159
Brugia malayi AF-10 protein 0.0009 0.0003 0.0006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0159 0.0297
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0689 0.0689
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.3392 0.6318
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0494 0.0494
Brugia malayi vesicular acetylcholine transporter unc-17 0.0219 0.5368 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0012 0.0081 0.0081
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0494 0.0494
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0831 1
Brugia malayi PHD-finger family protein 0.0011 0.0044 0.0082
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0494 0.4067
Schistosoma mansoni hypothetical protein 0.04 1 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0483 0.09
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0222 0.0414
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0047 0.0563
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0159 0.0159
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.2154 0.2154
Leishmania major protein kinase, putative 0.0012 0.0081 1
Echinococcus granulosus vesicular acetylcholine transporter 0.0219 0.5368 0.5368
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1012 0.1885
Schistosoma mansoni cpg binding protein 0.0028 0.0483 0.0483
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0012 0.0081 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0831 0.0831
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0009 0.0003 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0494 0.092
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0029 0.0494 0.092
Schistosoma mansoni hypothetical protein 0.0015 0.0159 0.0159
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0012 0.0081 1
Schistosoma mansoni cpg binding protein 0.003 0.0524 0.0524
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0483 0.09
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1012 0.1885
Brugia malayi Bromodomain containing protein 0.0032 0.0583 0.1086
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.3392 0.3392
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.3392 0.3392
Leishmania major protein kinase, putative 0.0012 0.0081 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.078 0.078
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0689 0.1283
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0742 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0617 0.115
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0041 0.0041
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0831 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1271 0.2368
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.1215 1
Brugia malayi jmjC domain containing protein 0.0036 0.0689 0.1283
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0012 0.0081 1
Loa Loa (eye worm) acetyltransferase 0.0142 0.3392 0.6318
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0742 1
Brugia malayi hypoxia-induced factor 1 0.0147 0.3532 0.658
Brugia malayi PAS domain containing protein 0.0048 0.0982 0.1829
Toxoplasma gondii PHD-finger domain-containing protein 0.0009 0.0003 0.0024
Plasmodium falciparum phd finger protein, putative 0.0029 0.0494 0.6656
Echinococcus multilocularis dnaJ subfamily B 0.04 1 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0219 0.5368 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0159 0.0159
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0494 0.5945

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.