Detailed information for compound 1733720

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.438 | Formula: C22H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(C)N/C(=C/c2cc(n(c2C)Cc2ccccc2)C)/C1=O
  • InChi: 1S/C22H24N2O3/c1-5-27-22(26)20-15(3)23-19(21(20)25)12-18-11-14(2)24(16(18)4)13-17-9-7-6-8-10-17/h6-12,23H,5,13H2,1-4H3/b19-12+
  • InChiKey: AJPGJVGQADOWNG-XDHOZWIPSA-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 tyrosine kinase 0.0847465 0.427715 0.529421
Echinococcus multilocularis insulin receptor 0.0505118 0.248808 0.307575
Echinococcus multilocularis mitogen activated protein kinase 11 0.0373342 0.179943 0.222286
Brugia malayi serine/threonine kinase 12 0.0351315 0.168432 0.208029
Schistosoma mansoni tyrosine kinase 0.0505118 0.248808 0.307972
Echinococcus multilocularis aurora kinase A 0.0351315 0.168432 0.208029
Schistosoma mansoni tyrosine kinase 0.0835836 0.421637 0.521899
Echinococcus granulosus insulin receptor 0.0505118 0.248808 0.307575
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0351315 0.168432 0.208029
Echinococcus multilocularis mitogen activated protein kinase 14 0.0373342 0.179943 0.222286
Plasmodium falciparum serine/threonine protein kinase, putative 0.0351315 0.168432 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0847465 0.427715 0.529151
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0373342 0.179943 1
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0373342 0.179943 1
Echinococcus granulosus epidermal growth factor receptor 0.157495 0.807891 1
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0400773 0.194278 1
Entamoeba histolytica protein kinase, putative 0.0351315 0.168432 0.5
Echinococcus granulosus roundabout 2 0.00472812 0.00954734 0.0112505
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.00298985 0.00046337 0.000573555
Brugia malayi serine/threonine protein kinase 6 0.0351315 0.168432 0.208029
Brugia malayi P38 map kinase family protein 2 0.0373342 0.179943 0.222286
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0351315 0.168432 0.5
Loa Loa (eye worm) AUR protein kinase 0.0351315 0.168432 0.208029
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0351315 0.168432 0.5
Loa Loa (eye worm) AUR protein kinase 0.0351315 0.168432 0.208029
Treponema pallidum licC protein (licC) 0.0400773 0.194278 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.049477 0.2434 0.300877
Entamoeba histolytica protein kinase domain containing protein 0.0351315 0.168432 0.5
Echinococcus granulosus mitogen activated protein kinase 14 0.0373342 0.179943 0.222286
Schistosoma mansoni tyrosine kinase 0.0847465 0.427715 0.529421
Schistosoma mansoni nephrin 0.0037534 0.00445359 0.00551262
Loa Loa (eye worm) TK/INSR protein kinase 0.0505118 0.248808 0.307575
Schistosoma mansoni Neurotrimin precursor (hNT) 0.00298985 0.00046337 0.000573555
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0351315 0.168432 0.5
Schistosoma mansoni protein kinase 0.0351315 0.168432 0.208483
Schistosoma mansoni cell adhesion molecule 0.00396457 0.00555712 0.00687855
Trichomonas vaginalis AGC family protein kinase 0.0351315 0.168432 0.5
Loa Loa (eye worm) hypothetical protein 0.00472812 0.00954734 0.0112505
Echinococcus multilocularis mitogen activated protein kinase 14 0.0373342 0.179943 0.222286
Echinococcus granulosus epidermal growth factor receptor 0.0847465 0.427715 0.529151
Echinococcus multilocularis mitogen activated protein kinase 11 0.0373342 0.179943 0.222286
Trichomonas vaginalis AGC family protein kinase 0.0351315 0.168432 0.5
Echinococcus multilocularis neuroglian 0.0037534 0.00445359 0.00494189
Echinococcus granulosus twitchin 0.00417503 0.00665698 0.00767078
Echinococcus multilocularis roundabout 2 0.00472812 0.00954734 0.0112505
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0351315 0.168432 0.5
Trichomonas vaginalis AGC family protein kinase 0.0351315 0.168432 0.5
Schistosoma mansoni tyrosine kinase 0.0835836 0.421637 0.521899
Entamoeba histolytica protein kinase, putative 0.0351315 0.168432 0.5
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0373342 0.179943 1
Echinococcus granulosus neuroglian 0.0037534 0.00445359 0.00494189
Loa Loa (eye worm) AUR protein kinase 0.0351315 0.168432 0.208029
Loa Loa (eye worm) hypothetical protein 0.00472812 0.00954734 0.0112505
Schistosoma mansoni tyrosine kinase 0.0505118 0.248808 0.307972
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0351315 0.168432 0.208029
Schistosoma mansoni vesicular amine transporter 0.00298985 0.00046337 0.000573555
Onchocerca volvulus Tyrosine kinase homolog 0.046276 0.226672 1
Schistosoma mansoni serine/threonine protein kinase 0.0351315 0.168432 0.208483
Echinococcus multilocularis 0.0486642 0.239153 0.295617
Giardia lamblia Aurora kinase 0.0351315 0.168432 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.157495 0.807891 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0373342 0.179943 0.222286
Loa Loa (eye worm) hypothetical protein 0.00396457 0.00555712 0.00630861
Schistosoma mansoni tyrosine kinase 0.0835836 0.421637 0.521899
Entamoeba histolytica protein kinase , putative 0.0351315 0.168432 0.5
Echinococcus granulosus mitogen activated protein kinase 11 0.0373342 0.179943 0.222286
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0505118 0.248808 0.307575
Echinococcus granulosus aurora kinase A 0.0351315 0.168432 0.208029
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.194256 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.00396457 0.00555712 0.00630861
Schistosoma mansoni tyrosine kinase 0.157495 0.807891 1
Brugia malayi Protein kinase domain containing protein 0.0505118 0.248808 0.307575
Mycobacterium leprae Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.194256 1 0.5
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.194256 1 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.157495 0.807891 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.194256 1 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.157495 0.807891 1
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0373342 0.179943 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.049477 0.2434 0.300877
Trichomonas vaginalis AGC family protein kinase 0.0351315 0.168432 0.5
Brugia malayi serine/threonine-protein kinase 6 0.0351315 0.168432 0.208029
Echinococcus multilocularis epidermal growth factor receptor 0.0847465 0.427715 0.529151
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0505118 0.248808 0.307575

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.3 uM Antimalarial activity against erythrocytic stage of chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 assessed as inhibition of [3H]-hypoxanthine incorporation incubated for 48 hrs prior to [3H]-hypoxanthine addition measured after 24 hrs by liquid scintillation counting ChEMBL. 23517371

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 23517371

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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