Detailed information for compound 1315868

Basic information

Technical information
  • TDR Targets ID: 1315868
  • Name: 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N- (pyridin-3-ylmethyl)acetamide
  • MW: 366.41 | Formula: C21H22N2O4
  • H donors: 1 H acceptors: 3 LogP: 2.9 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc(=O)oc2c1c(OCC(=O)NCc1cccnc1)cc(c2)C
  • InChi: 1S/C21H22N2O4/c1-3-5-16-10-20(25)27-18-9-14(2)8-17(21(16)18)26-13-19(24)23-12-15-6-4-7-22-11-15/h4,6-11H,3,5,12-13H2,1-2H3,(H,23,24)
  • InChiKey: QGQLNCDBYAZYSH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxy-N-(3-pyridylmethyl)acetamide
  • 2-[(7-methyl-2-oxo-4-propyl-5-chromenyl)oxy]-N-(3-pyridylmethyl)acetamide
  • 2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxy-N-(3-pyridylmethyl)acetamide
  • 2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxy-N-(pyridin-3-ylmethyl)ethanamide
  • ZINC05325383

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 0.0299 0.0587 0.1803
Giardia lamblia Kinase, PLK 0.1131 0.3257 0.5
Loa Loa (eye worm) hypothetical protein 0.0199 0.0267 0.0267
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0199 0.0267 0.082
Trypanosoma cruzi polo-like protein kinase, putative 0.1131 0.3257 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1131 0.3257 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.0475 0.0475
Brugia malayi hypothetical protein 0.0199 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0199 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0314 0.0638 0.0638
Echinococcus granulosus roundabout 2 0.0314 0.0638 0.1959
Trichomonas vaginalis CAMK family protein kinase 0.1131 0.3257 1
Loa Loa (eye worm) TK/FAK protein kinase 0.0302 0.0598 0.0598
Brugia malayi Protein kinase domain containing protein 0.0302 0.0598 0.0598
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0199 0.0267 0.082
Trichomonas vaginalis CAMK family protein kinase 0.1131 0.3257 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1131 0.3257 0.3257
Onchocerca volvulus 0.2949 0.9092 0.9759
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1131 0.3257 0.5
Loa Loa (eye worm) hypothetical protein 0.0199 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0199 0.0267 0.0267
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0264 0.0475 0.1459
Trichomonas vaginalis CAMK family protein kinase 0.1131 0.3257 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0199 0.0267 0.0267
Entamoeba histolytica serine/threonine protein kinase, putative 0.1131 0.3257 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1131 0.3257 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.0267 0.0267
Echinococcus multilocularis Immunoglobulin 0.0199 0.0267 0.082
Echinococcus granulosus defective proboscis extension response 0.0199 0.0267 0.082
Loa Loa (eye worm) hypothetical protein 0.0199 0.0267 0.0267
Schistosoma mansoni kinase 0.0575 0.1474 0.4525
Trypanosoma cruzi polo-like protein kinase, putative 0.1131 0.3257 0.5
Echinococcus granulosus twitchin 0.0254 0.0443 0.1361
Trichomonas vaginalis CAMK family protein kinase 0.1131 0.3257 1
Schistosoma mansoni tyrosine kinase 0.0135 0.0062 0.019
Onchocerca volvulus Tyrosine kinase homolog 0.3019 0.9317 1
Echinococcus granulosus neuroglian 0.025 0.043 0.132
Trypanosoma brucei polo-like protein kinase 0.1131 0.3257 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1131 0.3257 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.012 0.0013 0.0013
Echinococcus multilocularis neuroglian 0.025 0.043 0.132
Brugia malayi serine/threonine-protein kinase plk-2 0.1131 0.3257 0.3257
Echinococcus granulosus Immunoglobulin 0.0199 0.0267 0.082
Schistosoma mansoni vesicular amine transporter 0.0199 0.0267 0.082
Echinococcus granulosus protein tyrosine kinase 0.0299 0.0587 0.1803
Schistosoma mansoni serine/threonine protein kinase 0.1131 0.3257 1
Echinococcus multilocularis Immunoglobulin 0.0199 0.0267 0.082
Schistosoma mansoni cell adhesion molecule 0.0264 0.0475 0.1459
Trichomonas vaginalis CAMK family protein kinase 0.1131 0.3257 1
Schistosoma mansoni nephrin 0.025 0.043 0.132
Onchocerca volvulus Serine\/threonine kinase homolog 0.1131 0.3257 0.3496
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1131 0.3257 1
Echinococcus multilocularis roundabout 2 0.0314 0.0638 0.1959
Loa Loa (eye worm) hypothetical protein 0.0314 0.0638 0.0638
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0199 0.0267 0.082
Echinococcus multilocularis protein tyrosine kinase 0.0299 0.0587 0.1803
Brugia malayi Fibronectin type III domain containing protein 0.0199 0.0267 0.0267

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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