Detailed information for compound 1224833

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.613 | Formula: C25H42N2O3
  • H donors: 2 H acceptors: 2 LogP: 7 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCNC(=O)[C@@H](/N=C/c1ccccc1OC)CO
  • InChi: 1S/C25H42N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-26-25(29)23(21-28)27-20-22-17-14-15-18-24(22)30-2/h14-15,17-18,20,23,28H,3-13,16,19,21H2,1-2H3,(H,26,29)/b27-20+/t23-/m0/s1
  • InChiKey: ZPHZQHRCPBYLBK-ORBPGINVSA-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 multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0251 0.024
Schistosoma mansoni hypothetical protein 0.0026 0.0447 0.0447
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0118 0.0106
Loa Loa (eye worm) Smad1 0.0008 0.007 0.0197
Schistosoma mansoni thyroid hormone receptor 0.0011 0.014 0.014
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0725 0.5045
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.014 0.014
Trypanosoma brucei PAB1-binding protein , putative 0.0058 0.1123 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.014 0.0128
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.014 0.014
Loa Loa (eye worm) RNA binding protein 0.0134 0.2727 0.9197
Schistosoma mansoni hypothetical protein 0.0477 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0026 0.0046
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.007 0.0058
Schistosoma mansoni thyroid hormone receptor 0.0011 0.014 0.014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.014 0.0432
Schistosoma mansoni ferritin 0.0008 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.0179 0.3693 0.3693
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.014 0.0432
Schistosoma mansoni hypothetical protein 0.0036 0.0661 0.0661
Plasmodium vivax ataxin-2 like protein, putative 0.0058 0.1123 1
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0115 0.0348
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0046
Loa Loa (eye worm) hypothetical protein 0.0011 0.014 0.0432
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0005 0.0014 0.0002
Brugia malayi CXXC zinc finger family protein 0.0034 0.0608 0.2017
Schistosoma mansoni zinc finger protein 0.0005 0.0012 0.0012
Brugia malayi ecdysteroid receptor 0.0011 0.014 0.0432
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0012 0.0012
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0725 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0074 0.0062
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.007 0.0058
Loa Loa (eye worm) TAR-binding protein 0.0134 0.2727 0.9197
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0073 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.014 0.0432
Echinococcus granulosus FTZ F1 alpha 0.0011 0.014 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.014 0.0432
Loa Loa (eye worm) histone methyltransferase 0.001 0.0118 0.0358
Loa Loa (eye worm) hypothetical protein 0.0011 0.014 0.0432
Echinococcus granulosus tar DNA binding protein 0.0134 0.2727 0.2718
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.08 0.4815
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0251 0.024
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1015 0.3396
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0725 1
Schistosoma mansoni cpg binding protein 0.0034 0.0608 0.0608
Loa Loa (eye worm) hypothetical protein 0.0011 0.014 0.0432
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.08 1
Schistosoma mansoni nuclear receptor 0.0005 0.0012 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.014 0.0432
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.014 0.014
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2423 0.8169
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0074 0.0074
Brugia malayi RNA binding protein 0.0134 0.2727 0.9197
Schistosoma mansoni hypothetical protein 0.0179 0.3693 0.3693
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.014 0.0432
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.2878 0.2869
Schistosoma mansoni tar DNA-binding protein 0.0134 0.2727 0.2727
Schistosoma mansoni ferritin 0.0008 0.0073 0.0073
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.2727 0.9197
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.014 0.0432
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0012 0.0012
Schistosoma mansoni ferritin 0.0008 0.0073 0.0073
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.014 0.0128
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0026 0.0014
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0319 0.1041
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.2964 0.2964
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.014 0.014
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0319 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.014 0.0128
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0319 1
Schistosoma mansoni smad 0.0008 0.007 0.007
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0251 0.0811
Echinococcus granulosus GPCR family 2 0.0017 0.0251 0.024
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.014 0.0128
Echinococcus multilocularis tar DNA binding protein 0.0134 0.2727 0.2718
Schistosoma mansoni tar DNA-binding protein 0.0134 0.2727 0.2727
Schistosoma mansoni hypothetical protein 0.0017 0.0251 0.0251
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.014 0.0128
Echinococcus multilocularis cpg binding protein 0.0035 0.0648 0.0637
Loa Loa (eye worm) hypothetical protein 0.0011 0.014 0.0432
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0118 0.0106
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.2964 0.2955
Echinococcus multilocularis ferritin 0.0008 0.0073 0.0061
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.007 0.0197
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.007 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0134 0.2727 0.2727
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.014 0.0432
Plasmodium falciparum ataxin-2 like protein, putative 0.0058 0.1123 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0074 0.0062
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.014 0.0128
Loa Loa (eye worm) hypothetical protein 0.0017 0.0251 0.0811
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0012 0.0012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0026 0.0026
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.014 0.0128
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.014 0.0432
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0026 0.0014
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0026 0.0447 0.0436
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0026 0.0447 0.0436
Schistosoma mansoni ferritin 0.0008 0.0073 0.0073
Schistosoma mansoni smad1 5 8 and 0.0008 0.007 0.007
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.007 0.0197
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.014 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.014 0.0432
Schistosoma mansoni apoferritin-2 0.0008 0.0073 0.0073
Onchocerca volvulus 0.0034 0.0608 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1015 0.3396
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.014 0.014
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.014 0.2142
Schistosoma mansoni smad1 5 8 and 0.0008 0.007 0.007
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.08 0.4815
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0251 0.0811
Schistosoma mansoni Smad4 0.0008 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0011 0.014 0.0432
Echinococcus granulosus cpg binding protein 0.0035 0.0648 0.0637
Echinococcus multilocularis geminin 0.0179 0.3693 0.3685
Toxoplasma gondii LsmAD domain-containing protein 0.0058 0.1123 0.8052
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0026 0.0046
Schistosoma mansoni nuclear hormone receptor 0.0011 0.014 0.014
Brugia malayi MH1 domain containing protein 0.0008 0.007 0.0197
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.014 0.0128
Leishmania major hypothetical protein, conserved 0.0058 0.1123 1
Echinococcus granulosus geminin 0.0179 0.3693 0.3685
Brugia malayi MH2 domain containing protein 0.0119 0.2423 0.8169
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0319 0.0308
Echinococcus multilocularis Smad4 0.0008 0.007 0.0058
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0046
Brugia malayi hypothetical protein 0.0037 0.0689 0.2292
Echinococcus multilocularis expressed protein 0.0008 0.0073 0.0061
Trichomonas vaginalis ferritin, putative 0.0008 0.0073 0.0184
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.014 0.0432
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.08 0.0789
Brugia malayi TAR-binding protein 0.0134 0.2727 0.9197
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0319 0.1041
Schistosoma mansoni zinc finger protein 0.0005 0.0014 0.0014
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.014 0.0128
Loa Loa (eye worm) hypothetical protein 0.0036 0.0661 0.2199
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.014 0.0432
Echinococcus granulosus ferritin 0.0008 0.0073 0.0061
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.007 0.007
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0319 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.2727 0.2727
Schistosoma mansoni ap endonuclease 0.002 0.0319 0.0319
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0319 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0251 0.0811
Loa Loa (eye worm) hypothetical protein 0.0011 0.014 0.0432
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0661 0.2199
Brugia malayi nuclear receptor RXR 0.0006 0.0026 0.0046
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0608 0.2017
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0011 0.014 0.0432
Schistosoma mansoni ferritin light chain 0.0008 0.0073 0.0073
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.014 0.0432
Trypanosoma cruzi PAB1-binding protein , putative 0.0058 0.1123 1
Brugia malayi PHD-finger family protein 0.0005 0.0014 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.014 0.0432
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.014 0.0128
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0319 0.0308
Loa Loa (eye worm) hypothetical protein 0.0053 0.1015 0.3396
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.014 0.014
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0026 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.014 0.0432
Brugia malayi Smad1 0.0008 0.007 0.0197
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.1317 1
Echinococcus granulosus Smad4 0.0008 0.007 0.0058
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0319 0.3515
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.014 0.0128
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.08 0.598
Brugia malayi MH2 domain containing protein 0.0008 0.007 0.0197
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.014 0.0432
Onchocerca volvulus 0.0011 0.014 0.2142
Loa Loa (eye worm) hypothetical protein 0.0005 0.0014 0.0006
Loa Loa (eye worm) acetyltransferase 0.0145 0.2964 1
Echinococcus multilocularis zinc finger protein 0.0005 0.0014 0.0002
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.014 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.014 0.0432
Schistosoma mansoni cpg binding protein 0.0035 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0046
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.014 0.0432
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1015 0.3396
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0251 0.024
Brugia malayi hypothetical protein 0.0006 0.0026 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0134 0.2727 0.2727
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.014 0.0432
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.014 0.0432
Trypanosoma cruzi PAB1-binding protein , putative 0.0058 0.1123 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.014 0.2142
Brugia malayi nuclear receptor NHR-88 0.0011 0.014 0.0432
Schistosoma mansoni cpg binding protein 0.0035 0.0648 0.0648
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.014 0.2142
Schistosoma mansoni apoferritin-2 0.0008 0.0073 0.0073
Brugia malayi MH1 domain containing protein 0.0008 0.007 0.0197
Plasmodium falciparum ataxin-2 like protein, putative 0.0058 0.1123 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0251 0.024
Brugia malayi nuclear hormone receptor 0.0011 0.014 0.0432
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.014 0.014
Schistosoma mansoni hypothetical protein 0.0017 0.0251 0.0251
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.014 0.0128
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0074 0.0062
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0012 0.0012
Echinococcus granulosus smad 0.0008 0.007 0.0058
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.014 0.014
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0026 0.0046
Schistosoma mansoni smad1 5 8 and 0.0008 0.007 0.007
Schistosoma mansoni bromodomain containing protein 0.0005 0.0014 0.0014
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.007 0.0058
Schistosoma mansoni ferritin light chain 0.0008 0.0073 0.0073
Schistosoma mansoni bromodomain containing protein 0.0005 0.0014 0.0014
Brugia malayi MH2 domain containing protein 0.0008 0.007 0.0197
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0005 0.0014 0.0002
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0046
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.2964 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0251 0.024
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2423 0.8169
Schistosoma mansoni ap endonuclease 0.002 0.0319 0.0319
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0074 0.0062
Schistosoma mansoni coup transcription factor 0.0011 0.014 0.014
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.014 0.0128
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.014 0.0432
Schistosoma mansoni hypothetical protein 0.0017 0.0251 0.0251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.014 0.0432
Brugia malayi steroid hormone receptor 0.0011 0.014 0.0432
Schistosoma mansoni nuclear receptor 0.0005 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0058 0.1123 0.3763
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0046
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.014 0.0128
Schistosoma mansoni hypothetical protein 0.0017 0.0251 0.0251
Brugia malayi hypothetical protein 0.0006 0.0026 0.0046
Brugia malayi hypothetical protein 0.0058 0.1123 0.3763
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.1403 0.1403
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0319 0.3515
Echinococcus multilocularis dnaJ subfamily B 0.0477 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.2727 0.9197
Loa Loa (eye worm) hypothetical protein 0.0011 0.014 0.0432
Echinococcus granulosus zinc finger protein 0.0005 0.0014 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.014 0.0432
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0012 0.0012
Echinococcus multilocularis smad 0.0008 0.007 0.0058
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.014 0.0128
Brugia malayi Bromodomain containing protein 0.0005 0.0014 0.0006
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.08 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0014 0.0006
Echinococcus granulosus expressed protein 0.0008 0.0073 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.014 0.0432

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) = 79.15 uM Cytotoxicity against HEK293 cells assessed as reduction in cell viability ChEMBL. 20639111

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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