Detailed information for compound 1099205

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 381.422 | Formula: C22H23NO5
  • H donors: 2 H acceptors: 4 LogP: 4.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCn1c(c2ccoc2)c(c2c1cc(cc2)C(=O)O)C1CCCCC1
  • InChi: 1S/C22H23NO5/c24-19(25)8-10-23-18-12-15(22(26)27)6-7-17(18)20(14-4-2-1-3-5-14)21(23)16-9-11-28-13-16/h6-7,9,11-14H,1-5,8,10H2,(H,24,25)(H,26,27)
  • InChiKey: JXTXMGWQYGIEMT-UHFFFAOYSA-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) nuclear hormone receptor family member nhr-49 0.0012 0.0124 0.0142
Leishmania major phosphopantetheinyl transferase-like protein 0.0027 0.0703 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0124 0.0142
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0984 0.2296
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0124 0.0142
Loa Loa (eye worm) hypothetical protein 0.0075 0.2558 0.2925
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0124 0.0142
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0067 0.223 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0027 0.0703 0.468
Brugia malayi ecdysteroid receptor 0.0012 0.0124 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0124 0.0142
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0109 0.3869 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0124 0.0142
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0124 0.0142
Loa Loa (eye worm) X11 protein 0.0078 0.2675 0.3058
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0109 0.3869 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0124 0.0142
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0124 0.0142
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0124 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0124 0.0142
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.007 0.236 0.2697
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0027 0.0703 0.468
Loa Loa (eye worm) hypothetical protein 0.0023 0.056 0.0641
Loa Loa (eye worm) hypothetical protein 0.0034 0.0984 0.1125
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0124 0.0142
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0027 0.0703 0.5
Echinococcus granulosus voltage dependent calcium channel 0.0109 0.3869 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0455 0.052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0124 0.0142
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0109 0.3869 0.4423
Loa Loa (eye worm) hypothetical protein 0.002 0.0455 0.052
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0124 0.0142
Entamoeba histolytica hypothetical protein 0.0027 0.0703 0.5
Onchocerca volvulus 0.0034 0.0984 0.0984
Onchocerca volvulus 0.0095 0.3305 0.3305
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0984 0.2296
Loa Loa (eye worm) hypothetical protein 0.0095 0.3305 0.3778
Echinococcus multilocularis amyloid beta A4 protein 0.0078 0.2675 0.6812
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0124 0.0124
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0027 0.0703 0.5
Trichomonas vaginalis set domain proteins, putative 0.027 1 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0984 0.2296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0124 0.0142
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0095 0.3305 0.3778
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0109 0.3869 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0984 0.2296
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0124 0.0142
Loa Loa (eye worm) hypothetical protein 0.0109 0.3869 0.4423
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0984 0.2296
Toxoplasma gondii transporter, cation channel family protein 0.0023 0.056 0.1996
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0109 0.3869 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0124 0.0142
Loa Loa (eye worm) hypothetical protein 0.0012 0.0124 0.0142
Loa Loa (eye worm) hypothetical protein 0.0012 0.0124 0.0142
Echinococcus granulosus amyloid beta A4 protein 0.0078 0.2675 0.6812
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0109 0.3869 1
Onchocerca volvulus 0.0012 0.0124 0.0124
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0936 0.2168
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0095 0.3305 0.8493
Loa Loa (eye worm) hypothetical protein 0.0012 0.0124 0.0142
Loa Loa (eye worm) hypothetical protein 0.0012 0.0124 0.0142
Brugia malayi Pre-SET motif family protein 0.0034 0.0984 0.1125
Plasmodium vivax SET domain protein, putative 0.0034 0.0984 1
Brugia malayi nuclear hormone receptor 0.0012 0.0124 0.0142
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0027 0.0703 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0124 0.0142
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0067 0.223 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0124 0.0142
Loa Loa (eye worm) hypothetical protein 0.0012 0.0124 0.0142
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0027 0.0703 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0124 0.0142
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0027 0.0703 0.5
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0109 0.3869 1
Loa Loa (eye worm) calcium channel 0.0109 0.3869 0.4423
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0124 0.0142
Echinococcus granulosus L aminoadipate semialdehyde 0.0095 0.3305 0.8493
Echinococcus multilocularis voltage dependent calcium channel 0.0109 0.3869 1
Schistosoma mansoni amyloid beta A4 protein related 0.0078 0.2675 0.6812
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0109 0.3869 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0124 0.0142
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0109 0.3869 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0027 0.0703 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0124 0.0142
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.8748 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0703 0.5
Schistosoma mansoni voltage-gated cation channel 0.0109 0.3869 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0109 0.3869 1
Loa Loa (eye worm) voltage-dependent calcium channel 0.0023 0.056 0.0641
Echinococcus multilocularis L aminoadipate semialdehyde 0.0095 0.3305 0.8493
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0124 0.0142
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0046 0.1459 0.3565
Brugia malayi Pre-SET motif family protein 0.0237 0.8748 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0124 0.0142
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0984 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0124 0.0124
Mycobacterium leprae conserved hypothetical protein 0.0027 0.0703 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 0.0124 0.0142
Loa Loa (eye worm) hypothetical protein 0.0012 0.0124 0.0142
Brugia malayi hypothetical protein 0.0075 0.2558 0.2925
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0984 0.2296
Echinococcus granulosus voltage dependent calcium channel 0.0023 0.056 0.1165
Brugia malayi steroid hormone receptor 0.0012 0.0124 0.0142
Loa Loa (eye worm) hypothetical protein 0.0012 0.0124 0.0142
Echinococcus multilocularis sodium channel protein 0.0046 0.1459 0.3565
Echinococcus multilocularis voltage dependent calcium channel 0.0109 0.3869 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0984 0.2296
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0124 0.0142

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.