Detailed information for compound 872904

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.523 | Formula: C27H28N2O3
  • H donors: 2 H acceptors: 2 LogP: 2.8 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Cn1c(C(=O)O)c(c2c1cccc2)CNCC(c1ccccc1)C
  • InChi: 1S/C27H28N2O3/c1-19(21-8-4-3-5-9-21)16-28-17-24-23-10-6-7-11-25(23)29(26(24)27(30)31)18-20-12-14-22(32-2)15-13-20/h3-15,19,28H,16-18H2,1-2H3,(H,30,31)
  • InChiKey: KLBSDNMNRJGLEA-UHFFFAOYSA-N  

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
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0041 0.0098
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0326 0.0328
Schistosoma mansoni transcription factor LCR-F1 0.0116 0.1126 0.186
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0041 0.0068
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0041 0.0041
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0116 0.1126 0.1133
Brugia malayi TAR-binding protein 0.0064 0.0532 0.1264
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0098 0.0233
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0381 0.0383
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0041 0.0068
Echinococcus multilocularis smad 0.0026 0.0098 0.0099
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0041 0.0068
Brugia malayi hypothetical protein 0.0018 0.0006 0.0015
Echinococcus multilocularis potassium voltage gated channel protein 0.0083 0.0746 0.0751
Loa Loa (eye worm) hypothetical protein 0.0033 0.0171 0.0406
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0235 0.0558
Echinococcus granulosus X box binding protein 1 0.0316 0.3399 0.5616
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0051 0.0381 1
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.008 0.0705 0.071
Schistosoma mansoni hypothetical protein 0.0045 0.0307 0.0507
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0041 0.0068
Loa Loa (eye worm) hypothetical protein 0.0021 0.0041 0.0098
Echinococcus multilocularis geminin 0.0549 0.6052 0.6092
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0041 0.0041
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0437 0.104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0041 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0041 0.0098
Echinococcus granulosus survival motor neuron protein 1 0.024 0.2537 0.4192
Brugia malayi MH2 domain containing protein 0.0386 0.4204 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0041 0.0098
Brugia malayi nuclear receptor NHR-88 0.0021 0.0041 0.0098
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0437 0.104
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0083 0.0746 0.1775
Plasmodium vivax SET domain protein, putative 0.0033 0.0171 0.1919
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0041 0.0098
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0041 0.0068
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0116 0.1126 0.186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0328 0.0541
Schistosoma mansoni hypothetical protein 0.0045 0.0307 0.0507
Loa Loa (eye worm) hypothetical protein 0.0056 0.0437 0.104
Schistosoma mansoni hypothetical protein 0.0045 0.0307 0.0507
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0051 0.0381 0.0383
Loa Loa (eye worm) isocitrate dehydrogenase 0.0051 0.0381 0.0906
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0328 0.0541
Loa Loa (eye worm) hypothetical protein 0.0021 0.0041 0.0098
Echinococcus granulosus tar DNA binding protein 0.0064 0.0532 0.0878
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0381 0.0383
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.2537 0.2554
Schistosoma mansoni coup transcription factor 0.0021 0.0041 0.0068
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0041 0.0068
Brugia malayi MH2 domain containing protein 0.0026 0.0098 0.0233
Echinococcus granulosus Smad4 0.0026 0.0098 0.0162
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0041 0.0041
Schistosoma mansoni patched 1 0.0046 0.0326 0.0538
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0041 0.0068
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0041 0.0098
Schistosoma mansoni smad 0.0026 0.0098 0.0162
Brugia malayi CHE-14 protein 0.0046 0.0326 0.0775
Schistosoma mansoni smad1 5 8 and 0.0026 0.0098 0.0162
Brugia malayi Pre-SET motif family protein 0.0228 0.2399 0.5707
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0041 0.0098
Echinococcus granulosus Niemann Pick C1 protein 0.0154 0.1556 0.2572
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0041 0.0041
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0098 0.0233
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0381 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0532 0.0535
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0895 1 1
Schistosoma mansoni hypothetical protein 0.0049 0.0356 0.0589
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0041 0.0098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0328 0.0541
Entamoeba histolytica hypothetical protein 0.0116 0.1126 1
Brugia malayi hypothetical protein 0.0134 0.1329 0.3161
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0041 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0041 0.0098
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0326 0.0538
Schistosoma mansoni hypothetical protein 0.0316 0.3399 0.5616
Schistosoma mansoni smad1 5 8 and 0.0026 0.0098 0.0162
Loa Loa (eye worm) hypothetical protein 0.0108 0.1028 0.2446
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0041 0.0098
Loa Loa (eye worm) hypothetical protein 0.0021 0.0041 0.0098
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0041 0.0098
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0041 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0041 0.0098
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0041 0.0068
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0532 0.0878
Brugia malayi MH2 domain containing protein 0.0026 0.0098 0.0233
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.2399 0.5707
Echinococcus multilocularis protein patched 0.0046 0.0326 0.0328
Brugia malayi RNA binding protein 0.0064 0.0532 0.1264
Loa Loa (eye worm) Smad1 0.0026 0.0098 0.0233
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0171 0.0172
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0041 0.0098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0041 0.0098
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0041 0.0068
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0532 0.1264
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0381 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0041 0.0098
Onchocerca volvulus 0.0033 0.0171 0.0477
Onchocerca volvulus 0.026 0.2758 1
Loa Loa (eye worm) transcription factor SMAD2 0.0386 0.4204 1
Brugia malayi isocitrate dehydrogenase 0.0051 0.0381 0.0906
Schistosoma mansoni niemann-pick C1 (NPC1) 0.011 0.1047 0.1731
Schistosoma mansoni survival motor neuron protein 0.0049 0.0356 0.0589
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0041 0.0068
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0889 0.9933 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0171 0.0282
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0532 0.1264
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0098 0.0099
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0171 0.0282
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0041 0.0041
Mycobacterium ulcerans proteasome PrcA 0.0895 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0235 0.0558
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0328 0.033
Trichomonas vaginalis set domain proteins, putative 0.026 0.2758 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0041 0.0098
Schistosoma mansoni Smad4 0.0026 0.0098 0.0162
Brugia malayi steroid hormone receptor 0.0021 0.0041 0.0098
Schistosoma mansoni hypothetical protein 0.0045 0.0307 0.0507
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0083 0.0746 0.1233
Brugia malayi Smad1 0.0026 0.0098 0.0233
Loa Loa (eye worm) RNA binding protein 0.0064 0.0532 0.1264
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0041 0.0068
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0328 0.0541
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0532 0.0878
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0328 0.0779
Loa Loa (eye worm) hypothetical protein 0.0134 0.1329 0.3161
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0041 0.0098
Brugia malayi Isocitrate dehydrogenase 0.0051 0.0381 0.0906
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0171 0.0172
Onchocerca volvulus Huntingtin homolog 0.0134 0.1329 0.474
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0328 0.0779
Schistosoma mansoni smad1 5 8 and 0.0026 0.0098 0.0162
Echinococcus multilocularis isocitrate dehydrogenase 0.0051 0.0381 0.0383
Loa Loa (eye worm) hypothetical protein 0.0057 0.0445 0.1058
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0171 0.1919
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.0746 0.1233
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0041 0.0098
Echinococcus granulosus Niemann Pick C1 protein 0.0108 0.1028 0.1699
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0051 0.0381 1
Brugia malayi hypothetical protein 0.0028 0.0121 0.0288
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0041 0.0098
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0437 0.104
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0041 0.0041
Echinococcus granulosus potassium voltage gated channel protein 0.0083 0.0746 0.1233
Loa Loa (eye worm) hypothetical protein 0.0083 0.0746 0.1775
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0098 0.0162
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0532 0.0878
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0532 0.0878
Loa Loa (eye worm) hypothetical protein 0.0046 0.0326 0.0775
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0157 0.026
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0041 0.0068
Schistosoma mansoni hypothetical protein 0.0116 0.1126 0.186
Echinococcus multilocularis X box binding protein 1 0.0316 0.3399 0.3422
Echinococcus granulosus smad 0.0026 0.0098 0.0162
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0041 0.0068
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.0381 1
Brugia malayi hypothetical protein 0.0116 0.1126 0.2677
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0041 0.0068
Echinococcus multilocularis Niemann Pick C1 protein 0.0154 0.1556 0.1567
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0171 0.0282
Entamoeba histolytica hypothetical protein 0.0116 0.1126 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0381 0.0383
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0041 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0041 0.0098
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0041 0.0041
Loa Loa (eye worm) MH2 domain-containing protein 0.0386 0.4204 1
Brugia malayi MH1 domain containing protein 0.0026 0.0098 0.0233
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0041 0.0098
Echinococcus multilocularis Smad4 0.0026 0.0098 0.0099
Schistosoma mansoni hypothetical protein 0.0549 0.6052 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0381 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0051 0.0381 0.0629
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0041 0.0068
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0532 0.0878
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0326 0.0538
Onchocerca volvulus Huntingtin homolog 0.0134 0.1329 0.474
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.0746 0.1233
Brugia malayi Niemann-Pick C1 protein precursor 0.0108 0.1028 0.2446
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0051 0.0381 1
Echinococcus granulosus geminin 0.0549 0.6052 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0171 0.0282
Entamoeba histolytica hypothetical protein 0.0116 0.1126 1
Brugia malayi Pre-SET motif family protein 0.0033 0.0171 0.0406
Echinococcus multilocularis protein dispatched 1 0.0053 0.04 0.0403
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0041 0.0068
Brugia malayi nuclear hormone receptor 0.0021 0.0041 0.0098
Loa Loa (eye worm) hypothetical protein 0.0134 0.1329 0.3161
Loa Loa (eye worm) hypothetical protein 0.024 0.2537 0.6035
Schistosoma mansoni hypothetical protein 0.0038 0.0235 0.0388
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0041 0.0041
Entamoeba histolytica hypothetical protein 0.0116 0.1126 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0098 0.0162
Loa Loa (eye worm) hypothetical protein 0.0021 0.0041 0.0098
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0051 0.0381 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0098 0.0099
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0041 0.0068
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0041 0.0068
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0532 0.1264
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0051 0.0381 0.0629
Brugia malayi hypothetical protein 0.024 0.2537 0.6035
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0326 0.0775
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0041 0.0098
Onchocerca volvulus 0.0049 0.0356 0.1161
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0041 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0041 0.0098
Brugia malayi ecdysteroid receptor 0.0021 0.0041 0.0098
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0171 0.0282
Echinococcus multilocularis Niemann Pick C1 protein 0.0108 0.1028 0.1035
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0041 0.0098
Echinococcus multilocularis expressed conserved protein 0.0101 0.0954 0.096
Loa Loa (eye worm) hypothetical protein 0.0028 0.0121 0.0288
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0328 0.0541
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0356 0.0848
Brugia malayi MH1 domain containing protein 0.0026 0.0098 0.0233
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0328 0.033
Echinococcus granulosus expressed conserved protein 0.0101 0.0954 0.1576
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0041 0.0041
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.0381 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0098 0.0162
Loa Loa (eye worm) hypothetical protein 0.0021 0.0041 0.0098
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0041 0.0068
Loa Loa (eye worm) hypothetical protein 0.0021 0.0041 0.0098
Schistosoma mansoni hypothetical protein 0.0549 0.6052 1

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.