Detailed information for compound 1153829

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.549 | Formula: C25H34N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H]1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C(C)C)OC1CCCCC1O
  • InChi: 1S/C25H34N2O3/c1-15(2)27-14-16-12-21-19(18-7-6-8-20(27)24(16)18)11-17(13-26(21)3)25(29)30-23-10-5-4-9-22(23)28/h6-8,14-15,17,19,21-23,28H,4-5,9-13H2,1-3H3/t17-,19?,21?,22?,23?/m1/s1
  • InChiKey: GSCVQDHIWDOSEW-POCCAKLTSA-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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0365 0.0733
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0057 0.0428
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.4981 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0365 0.0365
Brugia malayi Smad1 0.0017 0 0.0001
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.1941 0.3896
Echinococcus multilocularis cysteine protease 0.0018 0.0011 0.0011
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0994 0.1375
Brugia malayi MH2 domain containing protein 0.0017 0 0.0001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0659 0.0658
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0659 0.0912
Toxoplasma gondii exonuclease III APE 0.002 0.0057 0.046
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.02 0.0313
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0654 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0057 0.0703
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0365 0.0733
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0446 0.6774
Brugia malayi MH1 domain containing protein 0.0017 0 0.0001
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0011 0.0022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0446 0.0446
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0659 0.0658
Brugia malayi Cathepsin L-like precursor 0.0018 0.0011 0.0023
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0446 0.6774
Brugia malayi Cathepsin L-like precursor 0.0018 0.0011 0.0023
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0659 0.0658
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Schistosoma mansoni ap endonuclease 0.002 0.0057 0.0078
Onchocerca volvulus 0.01 0.1748 1
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0011 0.0015
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0569 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0057 0.081
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0365 0.0365
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.1066 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0659 0.0912
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0173 0.3288 0.6601
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0446 0.4125
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0446 0.0446
Schistosoma mansoni hypothetical protein 0.0359 0.7222 1
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.1066 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0057 0.0114
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0303 0.6032 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.02 0.0313
Brugia malayi Cathepsin L-like precursor 0.0018 0.0011 0.0023
Leishmania major cathepsin L-like protease 0.0068 0.1066 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0446 0.6774
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0365 0.0733
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0569 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0011 0.0011
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.02 0.1785
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0057 0.0113
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0365 0.0365
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.1066 1
Trypanosoma brucei glucosidase, putative 0.0038 0.0446 0.3862
Trypanosoma cruzi cruzipain precursor, putative 0.0068 0.1066 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0011 0.0011
Brugia malayi Cathepsin L-like precursor 0.0018 0.0011 0.0023
Schistosoma mansoni alpha-glucosidase 0.0149 0.2779 0.3848
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0659 0.1323
Schistosoma mansoni hypothetical protein 0.0035 0.0365 0.0505
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0303 0.6032 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0057 0.0075
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0446 0.4125
Loa Loa (eye worm) hypothetical protein 0.0027 0.02 0.04
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0011 0.0011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0659 0.0658
Loa Loa (eye worm) cysteine protease 0.0018 0.0011 0.0022
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0994 0.1568
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0365 0.0733
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0057 0.0703
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.0654 0.6538
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0446 0.6774
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0446 0.6774
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0303 0.6032 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0994 0.0993
Schistosoma mansoni hypothetical protein 0.0035 0.0365 0.0505
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.1941 0.3896
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.4981 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0446 0.0896
Echinococcus granulosus histone acetyltransferase KAT2B 0.0159 0.2999 0.2999
Leishmania major hypothetical protein, conserved 0.0027 0.02 0.1785
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0446 0.4125
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0057 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0365 0.0505
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0446 0.4429
Treponema pallidum hypothetical protein 0.0303 0.6032 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0011 0.0023
Brugia malayi MH2 domain containing protein 0.0253 0.4981 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0303 0.6032 1
Echinococcus multilocularis neuropeptide s receptor 0.0491 1 1
Loa Loa (eye worm) ctsf protein 0.0018 0.0011 0.0022
Schistosoma mansoni hypothetical protein 0.0359 0.7222 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0994 0.1568
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0365 0.0365
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0011 0.0023
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0994 0.1568
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0011 0.0022
Brugia malayi MH1 domain containing protein 0.0017 0 0.0001
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.1941 0.3896
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0446 0.7804
Echinococcus multilocularis neuropeptide receptor A26 0.0491 1 1
Schistosoma mansoni hypothetical protein 0.0075 0.1211 0.1677
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0446 0.6774
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0164 0.3096 0.3096
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.1211 0.2432
Echinococcus granulosus geminin 0.0359 0.7222 0.7222
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0446 0.6774
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0446 0.7804
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0994 0.9314
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0057 0.0075
Schistosoma mansoni alpha-glucosidase 0.0149 0.2779 0.3848
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0303 0.6032 0.5
Loa Loa (eye worm) fibroinase 0.0018 0.0011 0.0022
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.3288 0.3287
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0011 0.0011
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0446 0.6774
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.3288 0.3287
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.0654 0.6538
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0057 0.0056
Schistosoma mansoni hypothetical protein 0.0035 0.0365 0.0505
Brugia malayi MH2 domain containing protein 0.0017 0 0.0001
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.02 0.1917
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0011 0.0022
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0011 0.0015
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0164 0.3096 0.4286
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0446 0.6774
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.02 0.1417
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.076 0.7098
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0994 0.1568
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0994 0.0993
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0994 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0057 0.0428
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.02 0.1785
Echinococcus multilocularis geminin 0.0359 0.7222 0.7222
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0011 0.0011
Schistosoma mansoni ap endonuclease 0.002 0.0057 0.0078
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0994 0.1375
Brugia malayi Cathepsin L-like precursor 0.0018 0.0011 0.0023
Echinococcus granulosus neuropeptide receptor A26 0.0491 1 1
Leishmania major cathepsin L-like protease 0.0068 0.1066 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0654 0.1067
Loa Loa (eye worm) acetyltransferase 0.0164 0.3096 0.6215
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0173 0.3288 0.66
Leishmania major cathepsin L-like protease 0.0068 0.1066 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0057 0.0056
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0062 0.0942 0.8824
Brugia malayi acetyltransferase, GNAT family protein 0.0164 0.3096 0.6216
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0654 0.0653
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Echinococcus multilocularis cysteine protease 0.0018 0.0011 0.0011
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0011 0.0011
Echinococcus granulosus lysosomal alpha glucosidase 0.0173 0.3288 0.3287
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1066 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0446 0.0896
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0654 1
Echinococcus granulosus GPCR family 2 0.0035 0.0365 0.0365
Echinococcus multilocularis GPCR, family 2 0.0035 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0109 0.1941 0.3896
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0569 0.0926
Schistosoma mansoni alpha glucosidase 0.0038 0.0446 0.0618
Brugia malayi hypothetical protein 0.0027 0.02 0.0401
Loa Loa (eye worm) hypothetical protein 0.0075 0.1211 0.2432
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0659 0.1322
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0659 0.0912
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.02 0.0313
Echinococcus granulosus cathepsin l1 0.0018 0.0011 0.0011
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0057 0.0428

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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