Detailed information for compound 1560454

Basic information

Technical information
  • TDR Targets ID: 1560454
  • Name: EU-0047645
  • MW: 405.493 | Formula: C23H27N5O2
  • H donors: 1 H acceptors: 2 LogP: 2.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2c(n(c1=N)C1CCCC1)nc1n(c2=O)cccc1)NC1CCCCC1
  • InChi: 1S/C23H27N5O2/c24-20-17(22(29)25-15-8-2-1-3-9-15)14-18-21(28(20)16-10-4-5-11-16)26-19-12-6-7-13-27(19)23(18)30/h6-7,12-16,24H,1-5,8-11H2,(H,25,29)
  • InChiKey: QKLASGDQCHUAJT-UHFFFAOYSA-N  

Network

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Synonyms

  • AF-399/41399741
  • BAS 04995991

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
Onchocerca volvulus 0.0671 1 1
Brugia malayi Hexokinase family protein 0.0671 1 1
Echinococcus multilocularis geminin 0.0205 0.2365 0.1496
Echinococcus multilocularis hexokinase type 2 0.0671 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0123 0.1021 0.1021
Loa Loa (eye worm) hypothetical protein 0.0182 0.2002 0.2002
Loa Loa (eye worm) hypothetical protein 0.0123 0.1021 0.1021
Echinococcus multilocularis hexokinase 0.0671 1 1
Loa Loa (eye worm) hexokinase 0.0421 0.5906 0.5906
Trypanosoma brucei hexokinase 0.0671 1 0.5
Plasmodium vivax hexokinase, putative 0.0671 1 0.5
Brugia malayi hypothetical protein 0.0182 0.2002 0.2002
Trypanosoma cruzi hexokinase, putative 0.0671 1 0.5
Brugia malayi Hexokinase family protein 0.0208 0.2414 0.2414
Echinococcus granulosus hexokinase 0.0671 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.1021 0.1021
Schistosoma mansoni hexokinase 0.0671 1 1
Onchocerca volvulus 0.0421 0.5906 0.5441
Plasmodium falciparum hexokinase 0.0671 1 0.5
Echinococcus multilocularis hexokinase 0.0671 1 1
Leishmania major hexokinase, putative 0.0671 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0458 0.6507 0.6507
Loa Loa (eye worm) hypothetical protein 0.0123 0.1021 0.1021
Echinococcus granulosus hexokinase type 2 0.0671 1 1
Toxoplasma gondii hexokinase 0.0671 1 0.5
Echinococcus multilocularis tumor protein p63 0.0408 0.5695 0.5206
Leishmania major hexokinase, putative 0.0671 1 0.5
Brugia malayi Cation transporter family protein 0.0123 0.1021 0.1021
Loa Loa (eye worm) hexokinase 0.0208 0.2414 0.2414
Entamoeba histolytica hexokinase 2 0.0671 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0213 0.2507 0.2507
Brugia malayi Hexokinase family protein 0.0421 0.5906 0.5906
Loa Loa (eye worm) hexokinase type II 0.0671 1 1
Trypanosoma brucei hexokinase 0.0671 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0098 0.0612 0.0612
Echinococcus granulosus hexokinase 0.0671 1 1
Echinococcus granulosus hexokinase 0.0671 1 1
Treponema pallidum hexokinase (hxk) 0.0671 1 0.5
Entamoeba histolytica hexokinase 1 0.0671 1 0.5
Onchocerca volvulus 0.0671 1 1
Loa Loa (eye worm) hexokinase 0.0671 1 1
Loa Loa (eye worm) hypothetical protein 0.0213 0.2507 0.2507
Echinococcus granulosus geminin 0.0205 0.2365 0.1496
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0123 0.1021 0.1021
Trypanosoma cruzi hexokinase, putative 0.0671 1 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.2365 0.1496
Onchocerca volvulus 0.0671 1 1
Trypanosoma brucei hexokinase, putative 0.0671 1 0.5
Onchocerca volvulus Hexokinase homolog 0.0421 0.5906 0.5441
Echinococcus multilocularis hexokinase 0.0671 1 1
Echinococcus granulosus tumor protein p63 0.0408 0.5695 0.5206
Brugia malayi hexokinase type II 0.0213 0.2507 0.2507
Schistosoma mansoni hypothetical protein 0.0205 0.2365 0.1496
Loa Loa (eye worm) hexokinase 0.0671 1 1
Onchocerca volvulus 0.0182 0.2002 0.1092

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 32 uM PUBCHEM_BIOASSAY: SAR analysis of agonists of the Cannabinoid Receptor 1 using an Image-Based Assay - Set 4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2013, AID2026] ChEMBL. No reference
EC50 (functional) > 32 uM PUBCHEM_BIOASSAY: SAR analysis of Agonists of the GPR35 Receptor using an Image-Based Assay - Set 4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2013, AID2026] ChEMBL. No reference
EC50 (functional) > 32 uM PUBCHEM_BIOASSAY: SAR analysis of agonists of the Cannabinoid Receptor 2 using an Image-Based Assay - Set 3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2013, AID2026] ChEMBL. No reference
IC50 (functional) = 29 uM PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-Based Assay - Set 4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2013, AID2026] ChEMBL. No reference
IC50 (functional) > 32 uM PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the GPR35 Receptor using an Image-Based Assay - Set 6. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2013, AID2026] ChEMBL. No reference
IC50 (functional) > 32 uM PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 using an Image-Based Assay - Set 4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2013, AID2026] ChEMBL. No reference
IC50 (functional) > 32 uM PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 2 using an Image-Based Assay - Set 3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2013, AID2026] 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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