Detailed information for compound 1435686

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.42 | Formula: C22H21N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)C1C2=C(O)CCCC2=Nc2n1c1ccccc1n2)OC
  • InChi: 1S/C22H21N3O3/c1-27-13-10-11-19(28-2)14(12-13)21-20-16(7-5-9-18(20)26)24-22-23-15-6-3-4-8-17(15)25(21)22/h3-4,6,8,10-12,21,26H,5,7,9H2,1-2H3
  • InChiKey: VHLQYGPSUCRLHV-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
Loa Loa (eye worm) hypothetical protein 0.0011 0.0074 0.0426
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0469 0.0447
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0432 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0022 0.0026
Loa Loa (eye worm) kinesin-like protein KLP2 0.0087 0.1223 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0074 0.0426
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0022 0.0026
Schistosoma mansoni voltage-gated potassium channel 0.004 0.052 0.0598
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0022 0.0026
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0074 0.0051
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0432 1
Brugia malayi Kinesin motor domain containing protein 0.0087 0.1223 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0022 0.0026
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0074 0.0085
Schistosoma mansoni voltage-gated potassium channel 0.004 0.052 0.0598
Loa Loa (eye worm) hypothetical protein 0.0032 0.0395 0.3107
Entamoeba histolytica kinesin, putative 0.0087 0.1223 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0074 0.0085
Plasmodium falciparum kinesin-5 0.0087 0.1223 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0074 0.0051
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0074 0.0051
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0074 0.0051
Echinococcus multilocularis kinesin family 1 0.0668 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0022 0.0026
Schistosoma mansoni hypothetical protein 0.0581 0.869 1
Plasmodium vivax kinesin-5 0.0087 0.1223 0.5
Schistosoma mansoni kinesin eg-5 0.0087 0.1223 0.1407
Giardia lamblia Kinesin-5 0.0087 0.1223 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0469 0.372
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0022 0.0026
Toxoplasma gondii kinesin motor domain-containing protein 0.0087 0.1223 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0469 0.0447
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0469 0.372

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference

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.

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