Detailed information for compound 1183545

Basic information

Technical information
  • TDR Targets ID: 1183545
  • Name: 2-phenyl-N-(pyridin-3-ylmethyl)butanamide
  • MW: 254.327 | Formula: C16H18N2O
  • H donors: 1 H acceptors: 2 LogP: 2.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ccccc1)C(=O)NCc1cccnc1
  • InChi: 1S/C16H18N2O/c1-2-15(14-8-4-3-5-9-14)16(19)18-12-13-7-6-10-17-11-13/h3-11,15H,2,12H2,1H3,(H,18,19)
  • InChiKey: GAWSHSPZSLDVPL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-phenyl-N-(3-pyridylmethyl)butanamide
  • 2-phenyl-N-(3-pyridylmethyl)butyramide
  • 2-Phenyl-N-pyridin-3-ylmethyl-butyramide
  • AN-652/14129307
  • BAS 02257426
  • MLS000718786
  • Oprea1_638344
  • SMR000291054
  • ST043715

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 jumonji/arid domain-containing protein 0.004 0.0413 0.0939
Schistosoma mansoni chromobox protein 0.0078 0.227 0.6204
Loa Loa (eye worm) hypothetical protein 0.0034 0.016 0.0224
Brugia malayi Heterochromatin protein 1 0.0078 0.227 0.6108
Echinococcus granulosus chromobox protein 1 0.0078 0.227 0.6108
Schistosoma mansoni chromobox protein 0.0078 0.227 0.6204
Loa Loa (eye worm) hypothetical protein 0.0056 0.1207 0.3189
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0698 0.1721
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0106 0.361 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0106 0.361 0.9845
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0776 0.197
Loa Loa (eye worm) hypothetical protein 0.0044 0.0616 0.1516
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.361 1
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.1032 0.286
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0776 0.2151
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.361 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0107 0.3665 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0081 0.5
Schistosoma mansoni jumonji domain containing protein 0.0085 0.2605 0.7152
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0081 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0698 0.1721
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0107 0.3665 1
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0776 0.2151
Onchocerca volvulus Serine\/threonine kinase homolog 0.0106 0.361 1
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.361 1
Brugia malayi chromobox protein homolog 3 0.0044 0.0616 0.1493
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0616 0.1707
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0413 0.0925
Trichomonas vaginalis chromobox protein, putative 0.0078 0.227 0.629
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.1032 0.286
Onchocerca volvulus 0.0034 0.016 0.0224
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0081 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0413 0.0925
Entamoeba histolytica serine/threonine protein kinase, putative 0.0106 0.361 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.361 1
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.361 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0413 0.0939
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.361 1
Brugia malayi jmjC domain containing protein 0.0107 0.3665 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0616 0.1707
Echinococcus granulosus chromobox protein 1 0.0078 0.227 0.6108
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.227 0.6204
Giardia lamblia Kinase, PLK 0.0106 0.361 1
Echinococcus multilocularis chromobox protein 1 0.0078 0.227 0.6108
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0106 0.361 0.9845
Echinococcus multilocularis chromobox protein 1 0.0078 0.227 0.6108
Plasmodium falciparum phd finger protein, putative 0.0033 0.0081 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0616 0.1516
Trichomonas vaginalis chromobox protein, putative 0.0078 0.227 0.629
Schistosoma mansoni kinase 0.0054 0.11 0.2887
Brugia malayi serine/threonine-protein kinase plk-2 0.0106 0.361 0.9845
Brugia malayi jmjC domain containing protein 0.004 0.0413 0.0925
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.361 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.1758 0.4754
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0413 0.0939
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.361 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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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