Detailed information for compound 736584

Basic information

Technical information
  • TDR Targets ID: 736584
  • Name: 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop -2-enamide
  • MW: 277.359 | Formula: C16H23NO3
  • H donors: 1 H acceptors: 1 LogP: 3.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C=CC(=O)NCCC(C)C)ccc1OC
  • InChi: 1S/C16H23NO3/c1-12(2)9-10-17-16(18)8-6-13-5-7-14(19-3)15(11-13)20-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)/b8-6+
  • InChiKey: IKGDZNIRVSCVLI-SOFGYWHQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-isopentyl-prop-2-enamide
  • 3-(3,4-dimethoxyphenyl)-N-isopentyl-prop-2-enamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-isopentylprop-2-enamide
  • 3-(3,4-dimethoxyphenyl)-N-isopentylprop-2-enamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-isoamyl-acrylamide
  • 3-(3,4-dimethoxyphenyl)-N-isoamyl-acrylamide
  • STK158852
  • ZINC02753333

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.025 0.6498
Entamoeba histolytica hypothetical protein 0.0042 0.0328 0.7871
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0143 0.3713
Giardia lamblia GTOR 0.0047 0.0385 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0431 0.3093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0035 0.0916
Schistosoma mansoni thyroid hormone receptor 0.0139 0.1421 0.387
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0211 0.049
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0143 0.3702
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0047 0.0385 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0118 0.2353
Trypanosoma cruzi mitochondrial inner membrane signal peptidase, putative 0.0042 0.0336 0.8591
Echinococcus granulosus mitochondrial inner membrane protease subunit 0.0042 0.0336 0.084
Loa Loa (eye worm) hypothetical protein 0.0016 0.004 0.0013
Mycobacterium tuberculosis Probable signal peptidase I LepB (SPASE I) (leader peptidase I). 0.09 1 1
Plasmodium falciparum importin beta, putative 0.0031 0.0211 0.4255
Schistosoma mansoni ran 0.0023 0.0118 0.023
Treponema pallidum signal peptidase I 0.09 1 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0385 0.0978
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.025 0.6498
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0047 0.0385 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.004 0.0013
Brugia malayi RNA binding protein 0.0065 0.0586 0.4303
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0118 0.2353
Plasmodium falciparum signal peptidase 21 kDa subunit 0.0042 0.0336 1
Schistosoma mansoni hypothetical protein 0.0334 0.3617 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.004 0.0036
Loa Loa (eye worm) microsomal signal peptidase 21 kDa subunit 0.0042 0.0336 0.084
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.1316 0.3576
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.004 0.0013
Schistosoma mansoni hypothetical protein 0.0016 0.004 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0278 0.7204
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0118 0.023
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0586 0.1539
Schistosoma mansoni hypothetical protein 0.0042 0.0328 0.0819
Brugia malayi RNA, U transporter 1 0.0089 0.086 0.6436
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0143 0.3702
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.025 0.6498
Trypanosoma cruzi signal peptidase type I, putative 0.0042 0.0336 0.8591
Trypanosoma brucei mitochondrial inner membrane signal peptidase, putative 0.0042 0.0336 0.8591
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.1316 0.3576
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0047 0.0385 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0047 0.0385 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0037 0.0278 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0385 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.025 0.6498
Loa Loa (eye worm) hypothetical protein 0.0031 0.0211 0.049
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.004 0.0013
Plasmodium vivax importin-beta 2, putative 0.0031 0.0211 0.4255
Echinococcus granulosus GPCR family 2 0.0016 0.004 0.0013
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0586 0.1539
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0586 0.4303
Mycobacterium ulcerans signal peptidase I LepB 0.09 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0173 0.4499
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.1305 0.3546
Echinococcus multilocularis thyroid hormone receptor alpha 0.0139 0.1421 0.387
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0144 0.3738
Entamoeba histolytica hypothetical protein 0.0042 0.0328 0.7871
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0385 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.017 0.4418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0035 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0143 0.3713
Trypanosoma cruzi target of rapamycin kinase 3 0.0037 0.0278 0.6934
Loa Loa (eye worm) hypothetical protein 0.0042 0.0336 0.084
Onchocerca volvulus 0.0042 0.0336 0.5
Entamoeba histolytica signal peptidase, putative 0.0042 0.0336 0.8157
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0385 0.2734
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.1305 0.3546
Schistosoma mansoni hypothetical protein 0.0035 0.025 0.06
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0328 0.0819
Echinococcus multilocularis snurportin 1 0.0334 0.3617 1
Schistosoma mansoni hypothetical protein 0.0016 0.004 0.0013
Leishmania major mitochondrial inner membrane signal peptidase, putative,serine peptidase clan SF, family S26B, putative 0.0042 0.0336 0.8591
Toxoplasma gondii target of rapamycin (TOR), putative 0.0035 0.025 0.6078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0035 0.0916
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0586 0.1539
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0173 0.4499
Echinococcus granulosus tar DNA binding protein 0.0065 0.0586 0.1539
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0328 0.0819
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0431 0.1106
Treponema pallidum signal peptidase I (sip) 0.09 1 0.5
Schistosoma mansoni hypothetical protein 0.0128 0.1305 0.3546
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0047 0.0385 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0047 0.0385 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.004 0.0036
Loa Loa (eye worm) hypothetical protein 0.0035 0.025 0.06
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0308 0.8002
Schistosoma mansoni importin beta-1 0.0031 0.0211 0.049
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.004 0.0013
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0047 0.0385 0.0978
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0143 0.3713
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0118 0.0643
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0108 0.207
Entamoeba histolytica hypothetical protein 0.0042 0.0328 0.7871
Wolbachia endosymbiont of Brugia malayi Signal peptidase I 0.09 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0586 0.1539
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0144 0.3106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0035 0.0916
Loa Loa (eye worm) hypothetical protein 0.0051 0.0431 0.1106
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0211 0.5007
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0586 0.1539
Brugia malayi Peptidase S24-like domain containing protein 0.0042 0.0336 0.2349
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0047 0.0385 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0144 0.3738
Schistosoma mansoni hypothetical protein 0.0016 0.004 0.0013
Toxoplasma gondii signal peptidase 0.0042 0.0336 1
Brugia malayi MH2 domain containing protein 0.0129 0.1316 1
Schistosoma mansoni mitochondrial signal peptidase (S26 family) 0.0042 0.0336 0.084
Toxoplasma gondii signal peptidase I protein 0.0042 0.0336 1
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0211 0.4255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.025 0.6498
Echinococcus multilocularis mitochondrial inner membrane protease subunit 0.0042 0.0336 0.084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0143 0.3713
Entamoeba histolytica hypothetical protein 0.0042 0.0328 0.7871
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0201 0.5205
Plasmodium vivax signal peptidase 21 kDa subunit, putative 0.0042 0.0336 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0037 0.0278 0.6934
Schistosoma mansoni signalase (S26 family) 0.0042 0.0336 0.084
Echinococcus multilocularis signal peptidase complex catalytic subunit 0.0042 0.0336 0.084
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0047 0.0385 0.0978
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0278 0.7204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0278 0.7204
Echinococcus granulosus signal peptidase complex catalytic subunit 0.0042 0.0336 0.084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0173 0.4499
Loa Loa (eye worm) inner mitochondrial membrane protease family member 0.0042 0.0336 0.084
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0118 0.023
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0586 0.1539
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.025 0.6498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0143 0.3702
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.025 0.1678
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0586 0.1539
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0118 0.023
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0334 0.3617 1
Schistosoma mansoni hypothetical protein 0.0016 0.004 0.0013
Trypanosoma cruzi signal peptidase type I, putative 0.0042 0.0336 0.8591
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0047 0.0385 1
Trichomonas vaginalis ran, putative 0.0023 0.0118 0.3054
Entamoeba histolytica hypothetical protein 0.0025 0.0144 0.0985
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0118 0.2353
Brugia malayi Microsomal signal peptidase 21 kDa subunit 0.0042 0.0336 0.2349
Brugia malayi TAR-binding protein 0.0065 0.0586 0.4303
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0278 0.7204
Echinococcus granulosus snurportin 1 0.0334 0.3617 1
Brugia malayi hypothetical protein 0.0042 0.0328 0.2289
Schistosoma mansoni ran 0.0023 0.0118 0.023
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0586 0.1539
Trypanosoma brucei signal peptidase type I, putative 0.0042 0.0336 0.8591
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.017 0.4418
Leishmania major GTP-binding protein, putative 0.0023 0.0118 0.2353
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0077 0.1204
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.004 0.0013
Echinococcus multilocularis GPCR, family 2 0.0016 0.004 0.0013
Echinococcus granulosus importin subunit beta 1 0.0031 0.0211 0.049
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.025 0.6498
Leishmania major importin beta-1 subunit, putative 0.0025 0.0144 0.3106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0385 1
Leishmania major signal peptidase type I, putative 0.0042 0.0336 0.8591
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0328 0.0819
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0212 0.5501
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0035 0.0916
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0211 0.5007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0278 0.7204
Brugia malayi Importin beta-1 subunit 0.0031 0.0211 0.1369
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0431 0.3093
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0144 0.3738
Loa Loa (eye worm) RNA binding protein 0.0065 0.0586 0.1539
Trypanosoma cruzi serine peptidase clan SF, family S26B, putative 0.0042 0.0336 0.8591
Schistosoma mansoni thyroid hormone receptor 0.0139 0.1421 0.387
Mycobacterium leprae PROBABLE SIGNAL PEPTIDASE I LEPB (SPASE I) (LEADER PEPTIDASE I). 0.09 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0047 0.0385 0.0978

Activities

No activities found for this compound.

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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