Detailed information for compound 1730968

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.772 | Formula: C15H22ClN2O5P
  • H donors: 1 H acceptors: 2 LogP: 2.15 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)([C@H]1C[C@@H](ON1C)C(=O)Nc1ccc(cc1)Cl)OCC
  • InChi: 1S/C15H22ClN2O5P/c1-4-21-24(20,22-5-2)14-10-13(23-18(14)3)15(19)17-12-8-6-11(16)7-9-12/h6-9,13-14H,4-5,10H2,1-3H3,(H,17,19)/t13-,14+/m1/s1
  • InChiKey: WNNGOPCWCRECEL-KGLIPLIRSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.0497 0.1783 0.1783
Schistosoma mansoni notch 0.0282 0.0323 0.0323
Schistosoma mansoni peroxidasin 0.1705 1 1
Giardia lamblia High cysteine protein 0.0282 0.0323 0.5
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Schistosoma mansoni notch 0.0282 0.0323 0.0323
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0497 0.1783 0.1783
Brugia malayi ecdysteroid receptor 0.0497 0.1783 0.1783
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0497 0.1783 0.1783
Brugia malayi EGF-like domain containing protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) animal heme peroxidase 0.1705 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0282 0.0323 0.0323
Brugia malayi GCC2 and GCC3 family protein 0.0282 0.0323 0.0323
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0497 0.1783 0.1783
Schistosoma mansoni hypothetical protein 0.0282 0.0323 0.0323
Echinococcus granulosus delta-like protein 1 0.0282 0.0323 0.0323
Schistosoma mansoni thyroid hormone receptor 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0262 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) animal heme peroxidase 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Echinococcus multilocularis peroxidasin 0.1705 1 1
Schistosoma mansoni hypothetical protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Onchocerca volvulus Peroxidasin homolog 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0262 0.0191 0.0191
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0497 0.1783 0.1783
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0497 0.1783 0.1783
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0497 0.1783 0.1783
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0497 0.1783 0.1783
Brugia malayi Calcium binding EGF domain containing protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Onchocerca volvulus 0.0282 0.0323 0.0323
Echinococcus granulosus protein jagged 1 0.0282 0.0323 0.0323
Brugia malayi EGF-like domain containing protein 0.0282 0.0323 0.0323
Onchocerca volvulus 0.1705 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0497 0.1783 0.1783
Brugia malayi Nuclear hormone receptor-like 1 0.0497 0.1783 0.1783
Echinococcus multilocularis slit 2 protein 0.0282 0.0323 0.0323
Toxoplasma gondii EGF family domain-containing protein 0.0282 0.0323 0.5
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Schistosoma mansoni hypothetical protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) notch protein 0.0282 0.0323 0.0323
Brugia malayi Animal haem peroxidase family protein 0.1705 1 1
Brugia malayi Animal haem peroxidase family protein 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) blistered cuticle protein 3 0.1705 1 1
Echinococcus granulosus protein jagged 2 0.0282 0.0323 0.0323
Brugia malayi Animal haem peroxidase family protein 0.1705 1 1
Brugia malayi Animal haem peroxidase family protein 0.1705 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0497 0.1783 0.1783
Onchocerca volvulus Putative cubilin 0.0282 0.0323 0.0323
Echinococcus granulosus neurogenic locus notch protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Echinococcus multilocularis neurogenic locus protein delta 0.0282 0.0323 0.0323
Schistosoma mansoni peroxidasin 0.1705 1 1
Brugia malayi hypothetical protein 0.0262 0.0191 0.0191
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0497 0.1783 0.1783
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0497 0.1783 0.1783
Brugia malayi EGF-like domain containing protein 0.0282 0.0323 0.0323
Brugia malayi Steroid receptor seven-up type 2 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0497 0.1783 0.1783
Loa Loa (eye worm) Notch2 0.0282 0.0323 0.0323
Onchocerca volvulus 0.0282 0.0323 0.0323
Brugia malayi Cadherin domain containing protein 0.0282 0.0323 0.0323
Echinococcus multilocularis neural cadherin 0.0282 0.0323 0.0323
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0497 0.1783 0.1783
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Brugia malayi EGF-like domain containing protein 0.0282 0.0323 0.0323
Onchocerca volvulus 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Echinococcus multilocularis protein jagged 1 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Onchocerca volvulus Peroxidasin homolog 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Onchocerca volvulus Peroxidase homolog 0.1705 1 1
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0282 0.0323 0.0323
Schistosoma mansoni notch 0.0282 0.0323 0.0323
Brugia malayi Peroxidasin 0.1705 1 1
Echinococcus multilocularis fibropellin Ia 0.0282 0.0323 0.0323
Schistosoma mansoni retinoic acid receptor RXR 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Echinococcus multilocularis protein jagged 1 0.0282 0.0323 0.0323
Brugia malayi nuclear receptor RXR 0.0262 0.0191 0.0191
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Echinococcus multilocularis notch 0.0282 0.0323 0.0323
Brugia malayi EGF-like domain containing protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Brugia malayi notch-like transmembrane receptor 0.0282 0.0323 0.0323
Echinococcus multilocularis neurogenic locus notch protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Echinococcus multilocularis FTZ F1 alpha 0.0497 0.1783 0.1783
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0262 0.0191 0.0191
Echinococcus multilocularis thyroid hormone receptor alpha 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0497 0.1783 0.1783
Schistosoma mansoni steroid hormone receptor ad4bp 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Onchocerca volvulus Peroxidase homolog 0.1705 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0497 0.1783 0.1783
Echinococcus granulosus fibropellin Ia 0.0282 0.0323 0.0323
Echinococcus multilocularis neurogenic locus protein delta 0.0282 0.0323 0.0323
Onchocerca volvulus 0.1705 1 1
Schistosoma mansoni septate junction protein 0.0282 0.0323 0.0323
Brugia malayi nuclear hormone receptor 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0497 0.1783 0.1783
Schistosoma mansoni hypothetical protein 0.0282 0.0323 0.0323
Brugia malayi Calcium binding EGF domain containing protein 0.0282 0.0323 0.0323
Echinococcus granulosus notch 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0282 0.0323 0.0323
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0262 0.0191 0.0191
Onchocerca volvulus Dual oxidase homolog 0.1705 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0497 0.1783 0.1783
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0282 0.0323 0.0323
Echinococcus granulosus neurogenic locus protein delta 0.0282 0.0323 0.0323
Brugia malayi Animal haem peroxidase family protein 0.1705 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.1705 1 1
Schistosoma mansoni notch 0.0282 0.0323 0.0323
Echinococcus granulosus FTZ F1 alpha 0.0497 0.1783 0.1783
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0262 0.0191 0.0191
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0262 0.0191 0.0191
Brugia malayi Nuclear hormone receptor-like 1 0.0262 0.0191 0.0191
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0497 0.1783 0.1783
Brugia malayi Delta serrate ligand family protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Onchocerca volvulus Slit protein homolog 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0497 0.1783 0.1783
Echinococcus multilocularis ecdysone induced protein 78C 0.0497 0.1783 0.1783
Schistosoma mansoni hypothetical protein 0.0282 0.0323 0.0323
Onchocerca volvulus Neurogenic locus notch homolog 0.0282 0.0323 0.0323
Brugia malayi nuclear receptor NHR-88 0.0497 0.1783 0.1783
Echinococcus granulosus peroxidasin 0.1705 1 1
Schistosoma mansoni notch 0.0282 0.0323 0.0323
Schistosoma mansoni hypothetical protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) animal heme peroxidase 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.0262 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0497 0.1783 0.1783
Schistosoma mansoni RAR-like nuclear receptor 0.0497 0.1783 0.1783
Schistosoma mansoni coup transcription factor 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Echinococcus granulosus protein jagged 2 0.0282 0.0323 0.0323
Loa Loa (eye worm) animal heme peroxidase 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.0497 0.1783 0.1783
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0262 0.0191 0.0191
Schistosoma mansoni cell polarity protein 0.0282 0.0323 0.0323
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0497 0.1783 0.1783
Echinococcus granulosus neurogenic locus notch protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0497 0.1783 0.1783
Brugia malayi EGF-like domain containing protein 0.0282 0.0323 0.0323
Schistosoma mansoni hypothetical protein 0.0282 0.0323 0.0323
Echinococcus granulosus ecdysone induced protein 78C 0.0497 0.1783 0.1783
Onchocerca volvulus 0.1705 1 1
Brugia malayi hypothetical protein 0.0262 0.0191 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0497 0.1783 0.1783
Brugia malayi steroid hormone receptor 0.0497 0.1783 0.1783
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0497 0.1783 0.1783
Echinococcus multilocularis neurogenic locus notch protein 4 0.0282 0.0323 0.0323
Onchocerca volvulus Protein ultraspiracle homolog 0.0497 0.1783 0.1783
Schistosoma mansoni notch 0.0282 0.0323 0.0323
Brugia malayi Cadherin domain containing protein 0.0282 0.0323 0.0323
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0497 0.1783 0.1783
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0262 0.0191 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0497 0.1783 0.1783
Schistosoma mansoni slit 0.0282 0.0323 0.0323
Schistosoma mansoni laminin gamma-3 chain 0.0282 0.0323 0.0323
Onchocerca volvulus 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0262 0.0191 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0497 0.1783 0.1783
Onchocerca volvulus 0.0282 0.0323 0.0323
Onchocerca volvulus 0.0282 0.0323 0.0323
Echinococcus granulosus protein jagged 1 0.0282 0.0323 0.0323
Echinococcus multilocularis protein jagged 2 0.0282 0.0323 0.0323
Schistosoma mansoni nuclear hormone receptor 0.0497 0.1783 0.1783
Echinococcus granulosus neural cadherin 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0497 0.1783 0.1783
Echinococcus multilocularis neurogenic locus notch protein 0.0282 0.0323 0.0323
Brugia malayi EGF-like domain containing protein 0.0282 0.0323 0.0323
Echinococcus granulosus slit 2 protein 0.0282 0.0323 0.0323
Brugia malayi Blistered cuticle protein 3 0.1705 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0497 0.1783 0.1783
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0282 0.0323 0.0323
Brugia malayi Muscle positioning protein 4 0.0282 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0282 0.0323 0.0323
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0497 0.1783 0.1783
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0497 0.1783 0.1783
Brugia malayi photoreceptor-specific nuclear receptor 0.0497 0.1783 0.1783
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0497 0.1783 0.1783
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0497 0.1783 0.1783
Schistosoma mansoni thyroid hormone receptor 0.0497 0.1783 0.1783
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0497 0.1783 0.1783
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0497 0.1783 0.1783
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0497 0.1783 0.1783
Brugia malayi Nuclear hormone receptor-like 1 0.0262 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Loa Loa (eye worm) hypothetical protein 0.1705 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0497 0.1783 0.1783

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) >= 250 uM Cytostatic activity against human HeLa cells assessed as inhibition of cell proliferation after 72 hrs by Coulter counter analysis ChEMBL. 23380474
IC50 (functional) > 250 uM Cytostatic activity against mouse L1210 cells assessed as inhibition of cell proliferation after 48 hrs by Coulter counter analysis ChEMBL. 23380474

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.