Detailed information for compound 233527

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 523.703 | Formula: C32H45NO5
  • H donors: 1 H acceptors: 4 LogP: 6.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)[C@@]12CCC(CC2C2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@](C1=CC2=O)(C)C=C(C(=O)C3(C)C)C(=O)N)(C)C
  • InChi: 1S/C32H45NO5/c1-27(2)11-13-32(26(37)38-8)14-12-31(7)23(19(32)17-27)20(34)15-22-29(5)16-18(25(33)36)24(35)28(3,4)21(29)9-10-30(22,31)6/h15-16,19,21,23H,9-14,17H2,1-8H3,(H2,33,36)/t19?,21-,23?,29-,30+,31+,32-/m0/s1
  • InChiKey: WUVWGSIEOCHFSJ-WVVCWRGISA-N  

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
Onchocerca volvulus 0.1656 1 1
Loa Loa (eye worm) animal heme peroxidase 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Schistosoma mansoni notch 0.0535 0.3067 0.3067
Toxoplasma gondii EGF family domain-containing protein 0.0535 0.3067 0.5
Onchocerca volvulus 0.0535 0.3067 0.2438
Echinococcus granulosus neurogenic locus notch protein 0.0535 0.3067 0.3009
Schistosoma mansoni retinoic acid receptor RXR 0.012 0.0503 0.0503
Echinococcus multilocularis neurogenic locus notch protein 0.0535 0.3067 0.3009
Echinococcus granulosus notch 0.0535 0.3067 0.3009
Onchocerca volvulus Chorion peroxidase homolog 0.1656 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0535 0.3067 0.3067
Echinococcus granulosus neurogenic locus notch protein 4 0.0535 0.3067 0.3009
Brugia malayi EGF-like domain containing protein 0.0535 0.3067 0.3067
Schistosoma mansoni peroxidasin 0.1656 1 1
Echinococcus multilocularis geminin 0.0194 0.0961 0.0886
Echinococcus granulosus delta-like protein 1 0.0535 0.3067 0.3009
Schistosoma mansoni cell polarity protein 0.0535 0.3067 0.3067
Echinococcus multilocularis neurogenic locus notch protein 0.0535 0.3067 0.3009
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Echinococcus granulosus fibropellin Ia 0.0535 0.3067 0.3009
Brugia malayi Cadherin domain containing protein 0.0535 0.3067 0.3067
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0535 0.3067 0.3067
Loa Loa (eye worm) animal heme peroxidase 0.1656 1 1
Onchocerca volvulus Neurogenic locus notch homolog 0.0535 0.3067 0.2438
Brugia malayi Animal haem peroxidase family protein 0.1656 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0104 0.0399 0.0319
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0535 0.3067 0.3067
Brugia malayi Delta serrate ligand family protein 0.0535 0.3067 0.3067
Echinococcus granulosus retinoic acid receptor rxr beta a 0.012 0.0503 0.0424
Onchocerca volvulus Peroxidase homolog 0.1656 1 1
Echinococcus granulosus slit 2 protein 0.0535 0.3067 0.3009
Brugia malayi EGF-like domain containing protein 0.0535 0.3067 0.3067
Echinococcus multilocularis neurogenic locus protein delta 0.0535 0.3067 0.3009
Loa Loa (eye worm) hypothetical protein 0.0057 0.0112 0.0112
Brugia malayi EGF-like domain containing protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Brugia malayi Animal haem peroxidase family protein 0.1656 1 1
Onchocerca volvulus Peroxidase homolog 0.1656 1 1
Onchocerca volvulus Peroxidasin homolog 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Schistosoma mansoni slit 0.0535 0.3067 0.3067
Schistosoma mansoni laminin gamma-3 chain 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Echinococcus multilocularis fibropellin Ia 0.0535 0.3067 0.3009
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) animal heme peroxidase 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Onchocerca volvulus Putative cubilin 0.0535 0.3067 0.2438
Echinococcus multilocularis slit 2 protein 0.0535 0.3067 0.3009
Echinococcus granulosus protein jagged 2 0.0535 0.3067 0.3009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0083 0.0083
Echinococcus multilocularis protein jagged 1 0.0535 0.3067 0.3009
Brugia malayi EGF-like domain containing protein 0.0535 0.3067 0.3067
Echinococcus granulosus neurogenic locus notch protein 0.0535 0.3067 0.3009
Echinococcus multilocularis notch 0.0535 0.3067 0.3009
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0535 0.3067 0.2438
Loa Loa (eye worm) animal heme peroxidase 0.1656 1 1
Echinococcus multilocularis protein jagged 2 0.0535 0.3067 0.3009
Schistosoma mansoni hypothetical protein 0.0194 0.0961 0.0961
Schistosoma mansoni notch 0.0535 0.3067 0.3067
Brugia malayi Animal haem peroxidase family protein 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Schistosoma mansoni notch 0.0535 0.3067 0.3067
Brugia malayi Calcium binding EGF domain containing protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Echinococcus granulosus neurogenic locus protein delta 0.0535 0.3067 0.3009
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Echinococcus granulosus protein jagged 2 0.0535 0.3067 0.3009
Schistosoma mansoni notch 0.0535 0.3067 0.3067
Schistosoma mansoni hypothetical protein 0.0194 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Brugia malayi Cadherin domain containing protein 0.0535 0.3067 0.3067
Schistosoma mansoni hypothetical protein 0.0535 0.3067 0.3067
Brugia malayi EGF-like domain containing protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Echinococcus granulosus neural cadherin 0.0535 0.3067 0.3009
Loa Loa (eye worm) blistered cuticle protein 3 0.1656 1 1
Schistosoma mansoni hypothetical protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Brugia malayi ecdysteroid receptor 0.0174 0.0832 0.0832
Schistosoma mansoni hypothetical protein 0.0535 0.3067 0.3067
Onchocerca volvulus Peroxidasin homolog 0.1656 1 1
Brugia malayi Blistered cuticle protein 3 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Giardia lamblia High cysteine protein 0.0535 0.3067 0.5
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Schistosoma mansoni hypothetical protein 0.0535 0.3067 0.3067
Schistosoma mansoni notch 0.0535 0.3067 0.3067
Loa Loa (eye worm) Notch2 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Brugia malayi Animal haem peroxidase family protein 0.1656 1 1
Brugia malayi notch-like transmembrane receptor 0.0535 0.3067 0.3067
Onchocerca volvulus 0.0535 0.3067 0.2438
Brugia malayi Calcium binding EGF domain containing protein 0.0535 0.3067 0.3067
Schistosoma mansoni peroxidasin 0.1656 1 1
Echinococcus granulosus geminin 0.0194 0.0961 0.0886
Onchocerca volvulus 0.0535 0.3067 0.2438
Echinococcus multilocularis neurogenic locus protein delta 0.0535 0.3067 0.3009
Echinococcus multilocularis fat cadherin tumor suppressor 0.0535 0.3067 0.3009
Echinococcus granulosus protein jagged 1 0.0535 0.3067 0.3009
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Brugia malayi EGF-like domain containing protein 0.0535 0.3067 0.3067
Schistosoma mansoni hypothetical protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0112 0.0112
Onchocerca volvulus Slit protein homolog 0.0535 0.3067 0.2438
Echinococcus multilocularis neurogenic locus notch protein 4 0.0535 0.3067 0.3009
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Echinococcus multilocularis neural cadherin 0.0535 0.3067 0.3009
Loa Loa (eye worm) notch protein 0.0535 0.3067 0.3067
Echinococcus granulosus peroxidasin 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Onchocerca volvulus Dual oxidase homolog 0.1656 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0083 0.0083
Onchocerca volvulus 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Brugia malayi Peroxidasin 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Brugia malayi Animal haem peroxidase family protein 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Schistosoma mansoni hypothetical protein 0.0535 0.3067 0.3067
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0174 0.0832 0.0832
Echinococcus multilocularis peroxidasin 0.1656 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Schistosoma mansoni notch 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Schistosoma mansoni hypothetical protein 0.0535 0.3067 0.3067
Schistosoma mansoni septate junction protein 0.0535 0.3067 0.3067
Onchocerca volvulus 0.0535 0.3067 0.2438
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0083 0.0083
Echinococcus multilocularis protein jagged 1 0.0535 0.3067 0.3009
Brugia malayi EGF-like domain containing protein 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.1656 1 1
Echinococcus granulosus protein jagged 1 0.0535 0.3067 0.3009
Brugia malayi GCC2 and GCC3 family protein 0.0535 0.3067 0.3067
Onchocerca volvulus 0.1656 1 1
Brugia malayi Muscle positioning protein 4 0.0535 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0535 0.3067 0.3067
Onchocerca volvulus 0.0535 0.3067 0.2438

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.1 uM Inhibition of nitric oxide (NO) production induced by interferon-gamma (IFN-gamma) in mouse macrophages ChEMBL. 11063620
IC50 (functional) = 0.1 uM Inhibition of nitric oxide (NO) production induced by interferon-gamma (IFN-gamma) in mouse macrophages ChEMBL. 11063620

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 11063620

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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