Detailed information for compound 45440

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 253.296 | Formula: C16H15NO2
  • H donors: 2 H acceptors: 2 LogP: 3.32 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)c1n(C)c2c(c1C)cc(cc2)O
  • InChi: 1S/C16H15NO2/c1-10-14-9-13(19)6-7-15(14)17(2)16(10)11-4-3-5-12(18)8-11/h3-9,18-19H,1-2H3
  • InChiKey: QSYUSTUIYNQKMR-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
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1326 0.5204
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2549 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1326 0.1703
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0114 0.0447
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0114 0.0447
Loa Loa (eye worm) hypothetical protein 0.0009 0.0114 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1326 1
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0114 0.0146
Onchocerca volvulus 0.0035 0.1326 0.1703
Entamoeba histolytica hypothetical protein 0.0006 0 0.5
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0114 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Brugia malayi hypothetical protein 0.0009 0.0114 0.0146
Toxoplasma gondii ABC1 family protein 0.0035 0.1326 1
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0114 0.0447
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1326 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2549 0.3273
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2549 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1326 0.1703
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1326 0.1703
Leishmania major hypothetical protein, conserved 0.0035 0.1326 0.5
Onchocerca volvulus 0.0035 0.1326 0.1703
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0114 0.0146
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1326 0.5204
Trichomonas vaginalis esterase, putative 0.0035 0.1326 1
Onchocerca volvulus 0.0009 0.0114 0.0146
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1326 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.7787 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1326 0.1703
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0114 0.0146
Brugia malayi beta-lactamase 0.0035 0.1326 0.1703
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1326 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0114 0.0447
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2549 0.3273
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0114 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1326 0.5204
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1326 0.1703
Brugia malayi DIX domain containing protein 0.0009 0.0114 0.0146
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1326 1
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0114 0.0447
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2549 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1326 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.2549 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1326 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1326 0.5204
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1326 0.5
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0114 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2549 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Schistosoma mansoni dishevelled 0.0009 0.0114 0.0447
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1326 1
Onchocerca volvulus 0.0035 0.1326 0.1703
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1326 1
Brugia malayi N-terminal motif family protein 0.0178 0.7787 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0114 0.0146
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2549 0.3273
Loa Loa (eye worm) RNA binding protein 0.0062 0.2549 0.3273
Brugia malayi RNA binding protein 0.0062 0.2549 0.3273
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0114 0.0447
Loa Loa (eye worm) beta-lactamase 0.0035 0.1326 0.1703
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1326 0.5
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0114 0.0447
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2549 1
Loa Loa (eye worm) hypothetical protein 0.0178 0.7787 1
Schistosoma mansoni dishevelled 0.0009 0.0114 0.0447
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0114 0.0447
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0114 0.0447
Brugia malayi beta-lactamase family protein 0.0035 0.1326 0.1703
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0114 0.0447
Schistosoma mansoni dep domain containing protein 0.0009 0.0114 0.0447
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Brugia malayi hypothetical protein 0.0009 0.0114 0.0146
Mycobacterium ulcerans lipase LipD 0.0035 0.1326 0.5
Mycobacterium ulcerans hypothetical protein 0.0035 0.1326 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1326 0.1703
Brugia malayi beta-lactamase family protein 0.0035 0.1326 0.1703
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2549 1
Brugia malayi TAR-binding protein 0.0062 0.2549 0.3273
Loa Loa (eye worm) hypothetical protein 0.0035 0.1326 0.1703
Mycobacterium leprae Probable lipase LipE 0.0035 0.1326 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.1326 0.1703
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1326 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.1326 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0114 0.0146
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0114 0.0447
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0114 0.0447
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0114 0.0447

Activities

Activity type Activity value Assay description Source Reference
RBA (binding) = 0.6 Relative binding affinity for the calf uterine estrogen receptor measured as the ratio of molar concentration of 17-beta-estradiol (E2) and inhibitor required to decrease the amount of bound [3H]-E2 by 50% ChEMBL. 6492074

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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