Detailed information for compound 150377

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.371 | Formula: C23H15NO2
  • H donors: 0 H acceptors: 1 LogP: 5.13 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1oc2ccccc2c2c1cc(n2c1ccccc1)c1ccccc1
  • InChi: 1S/C23H15NO2/c25-23-19-15-20(16-9-3-1-4-10-16)24(17-11-5-2-6-12-17)22(19)18-13-7-8-14-21(18)26-23/h1-15H
  • InChiKey: XHHYEGBPQISUAX-UHFFFAOYSA-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
Schistosoma mansoni DNA repair and recombination protein rad54-related 0.0007 0.0273 0.0273
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.2862 1
Echinococcus granulosus ubiquitin specific protease 41 0.0035 0.202 0.1796
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0035 0.202 0.1796
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0048 0.2862 1
Echinococcus granulosus mitogen activated protein kinase 0.0048 0.2862 0.2662
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0035 0.202 0.6748
Loa Loa (eye worm) hypothetical protein 0.0007 0.0273 0.0002
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0035 0.202 0.6748
Echinococcus multilocularis mitogen activated protein kinase 0.0048 0.2862 0.2662
Trypanosoma brucei protein kinase, putative 0.0048 0.2862 1
Schistosoma mansoni DNA repair and recombination protein rad54-related 0.0007 0.0273 0.0273
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0048 0.2862 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0048 0.2862 1
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.2862 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0048 0.2862 0.2662
Schistosoma mansoni hypothetical protein 0.0158 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0048 0.2862 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0035 0.202 0.1796
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.2862 1
Echinococcus multilocularis geminin 0.0158 1 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0035 0.202 0.6748
Echinococcus multilocularis ubiquitin specific protease 41 0.0035 0.202 0.1796
Schistosoma mansoni hypothetical protein 0.0158 1 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0035 0.202 0.202
Plasmodium falciparum DNA repair and recombination protein RAD54, putative 0.0007 0.0273 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.2862 0.2862
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0035 0.202 0.6748
Giardia lamblia Kinase, CMGC MAPK 0.0048 0.2862 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0048 0.2862 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0035 0.202 0.1796
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0048 0.2862 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0035 0.202 0.6748
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0048 0.2862 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.0273 0.0002
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0048 0.2862 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0035 0.202 0.1796
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0048 0.2862 1
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.2862 1
Plasmodium vivax DNA repair protein RAD54, putative 0.0007 0.0273 0.5
Brugia malayi MAP kinase sur-1 0.0048 0.2862 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.202 0.6748
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0035 0.202 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0035 0.202 0.202
Loa Loa (eye worm) type III restriction enzyme 0.0007 0.0273 0.0002
Echinococcus multilocularis mitogen activated protein kinase 3 0.0048 0.2862 0.2662

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 30 % Percent inhibition of [3H]-flunitrazepam binding to GABA-A Benzodiazepine receptor of bovine brain membranes at 34 uM ChEMBL. 2167984
Inhibition (binding) = 30 % Percent inhibition of [3H]-flunitrazepam binding to GABA-A Benzodiazepine receptor of bovine brain membranes at 34 uM ChEMBL. 2167984

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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