Detailed information for compound 1728985

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.48 | Formula: C26H24N2O4
  • H donors: 0 H acceptors: 2 LogP: 4.86 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)cc(cc1OC)C(=O)c1nc(cn1Cc1ccccc1)c1ccccc1
  • InChi: 1S/C26H24N2O4/c1-30-22-14-20(15-23(31-2)25(22)32-3)24(29)26-27-21(19-12-8-5-9-13-19)17-28(26)16-18-10-6-4-7-11-18/h4-15,17H,16H2,1-3H3
  • InChiKey: UCLFOJXOEHSHIB-UHFFFAOYSA-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 granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0037 0.0196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0072 0.0338 0.0338
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0006 0.0006
Schistosoma mansoni serine-rich repeat protein 0.0084 0.0402 0.5108
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0006 0.0035
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0006
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.0055 0.0694
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0006 0.0035
Onchocerca volvulus 0.0045 0.0193 0.0193
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0006 0.0006
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0006 0.0006
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0134 0.0134
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0581 0.305 1
Echinococcus granulosus calpain A 0.0019 0.0055 0.0293
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0359 0.1867 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0068 0.0313 0.1676
Echinococcus multilocularis hypothetical protein 0.0019 0.0055 0.0293
Loa Loa (eye worm) hypothetical protein 0.018 0.0913 0.0913
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0037 0.0037
Echinococcus granulosus GPCR family 2 0.0016 0.0037 0.0196
Echinococcus granulosus calpain 0.0019 0.0055 0.0293
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0196 0.105
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0006 0.0082
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0157 0.0788 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0006 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0465
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0068 0.0313 0.1676
Echinococcus granulosus FTZ F1 alpha 0.001 0.0006 0.0035
Loa Loa (eye worm) hypothetical protein 0.0045 0.0193 0.0193
Schistosoma mansoni Mername-AA248 (C02 family) 0.0019 0.0055 0.0694
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0006 0.0035
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.0313 0.3972
Brugia malayi calpain family protein 1 0.0064 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0034 0.0134 0.1701
Loa Loa (eye worm) hypothetical protein 0.0064 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0006
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0006 0.0006
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0006 0.0082
Brugia malayi N-terminal motif family protein 0.018 0.0913 0.0913
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0006 0.0006
Brugia malayi nuclear receptor NHR-88 0.001 0.0006 0.0006
Echinococcus multilocularis calpain family protein 1, d 0.0045 0.0193 0.1036
Trypanosoma cruzi hypothetical protein, conserved 0.0581 0.305 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.0913 0.0913
Loa Loa (eye worm) calpain 5 0.0019 0.0055 0.0055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0196 0.2489
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0006 0.0006
Brugia malayi calpain 7 0.0019 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0045 0.0193 0.0193
Onchocerca volvulus 0.001 0.0006 0.0006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0037 0.0037
Brugia malayi ecdysteroid receptor 0.001 0.0006 0.0006
Echinococcus multilocularis calpain 0.0019 0.0055 0.0293
Loa Loa (eye worm) calpain 0.0019 0.0055 0.0055
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0006 0.0035
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0006
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0006 0.0006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0196 0.105
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0006
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0037 0.0196
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0006 0.0082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0006 0.0006
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0006
Plasmodium vivax calpain, putative 0.0019 0.0055 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0006 0.0082
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0006 0.0035
Loa Loa (eye worm) hypothetical protein 0.0016 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0006 0.0006
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0006 0.0035
Schistosoma mansoni nuclear hormone receptor 0.001 0.0006 0.0082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0218 0.0218
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0006 0.0035
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0006 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0006 0.0006
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0006 0.0035
Echinococcus multilocularis calpain 7 (C02 family) 0.0019 0.0055 0.0293
Loa Loa (eye worm) hypothetical protein 0.0034 0.0134 0.0134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0006 0.0006
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0465
Echinococcus granulosus voltage dependent calcium channel subunit 0.0359 0.1867 1
Brugia malayi steroid hormone receptor 0.001 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0084 0.0402 0.5108
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0163 0.0823 0.441
Loa Loa (eye worm) calpain family protein 1 0.0064 0.0295 0.0295
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0037 0.0196
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0006 0.0006
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0064 0.0295 0.375
Echinococcus multilocularis calpain A 0.0068 0.0313 0.1676
Leishmania major hypothetical protein, conserved 0.0581 0.305 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0006 0.0082
Schistosoma mansoni calpain C (C02 family) 0.0019 0.0055 0.0694
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.0055 0.0694
Echinococcus granulosus calpain 5 0.0019 0.0055 0.0293
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0006 0.0006
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0079 0.0374 0.4744
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0196 0.105
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0006 0.0006
Schistosoma mansoni thyroid hormone receptor 0.001 0.0006 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0006 0.0006
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0006 0.0082
Brugia malayi calpain family protein 1 0.0064 0.0295 0.0295
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0037 0.0196
Echinococcus multilocularis calpain 5 0.0019 0.0055 0.0293
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0465
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0006 0.0082
Echinococcus granulosus calpain 7 C02 family 0.0019 0.0055 0.0293
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0465
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0006 0.0006
Echinococcus granulosus voltage dependent calcium channel subunit 0.0163 0.0823 0.441
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0196 0.105
Loa Loa (eye worm) hypothetical protein 0.005 0.0218 0.0218
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0006 0.0082
Trypanosoma cruzi hypothetical protein, conserved 0.0581 0.305 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0196 0.2489
Brugia malayi Cache domain containing protein 0.0072 0.0338 0.0338
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0037 0.0037
Brugia malayi calpain 5 0.0019 0.0055 0.0055
Schistosoma mansoni calpain (C02 family) 0.0019 0.0055 0.0694
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0006 0.0006
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0006 0.0035
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0006 0.0006
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0006 0.0035
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0006 0.0035
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0218 0.0218
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0006 0.0035
Loa Loa (eye worm) hypothetical protein 0.0064 0.0295 0.0295
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0006 0.0006
Brugia malayi nuclear hormone receptor 0.001 0.0006 0.0006
Echinococcus multilocularis GPCR, family 2 0.0016 0.0037 0.0196
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0196 0.0196
Echinococcus granulosus calpain A 0.0068 0.0313 0.1676
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1304 0.6903 0.5
Schistosoma mansoni coup transcription factor 0.001 0.0006 0.0082
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0006 0.0035
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0006 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0006 0.0006
Schistosoma mansoni thyroid hormone receptor 0.001 0.0006 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0006 0.0006
Loa Loa (eye worm) calpain family protein 1 0.0045 0.0193 0.0193
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0006 0.0035
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.0313 0.3972
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0196 0.2489
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0218 0.0218
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0006 0.0082
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0006 0.0035
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0006 0.0006

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 94 nM Cytotoxicity against human MDA-MB-435 cells assessed as growth inhibition after 48 hrs by SRB assay ChEMBL. 23547728

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23547728

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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