Detailed information for compound 1536308

Basic information

Technical information
  • TDR Targets ID: 1536308
  • Name: butan-1-amine; (E)-2-cyano-3-(4-hydroxyphenyl )prop-2-enoic acid
  • MW: 262.304 | Formula: C14H18N2O3
  • H donors: 3 H acceptors: 4 LogP: -0.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\c1ccc(cc1)O)/C(=O)O.CCCCN
  • InChi: 1S/C10H7NO3.C4H11N/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7;1-2-3-4-5/h1-5,12H,(H,13,14);2-5H2,1H3/b8-5+;
  • InChiKey: GIVMWZSXFUHWOQ-HAAWTFQLSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • butylamine; (E)-2-cyano-3-(4-hydroxyphenyl)acrylic acid
  • 67336_FLUKA
  • alpha-Cyano-4-hydroxycinnamic acid Butylamine salt

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901

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
Brugia malayi Cyclic-nucleotide gated cation channel 0.0026 0.0194 0.0887
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.219 0.219
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0026 0.0194 0.0194
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0026 0.0194 0.0194
Echinococcus multilocularis hypothetical protein 0.0251 0.5682 0.5682
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0026 0.0194 0.0887
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0194 0.0194
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0018 0 0.5
Echinococcus multilocularis dual specificity 0.0108 0.219 0.219
Brugia malayi Protein kinase domain containing protein 0.0108 0.219 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0429 1 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.219 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0194 0.0194
Echinococcus multilocularis voltage gated potassium channel 0.0026 0.0194 0.0194
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0026 0.0194 0.0194
Echinococcus granulosus dual specificity 0.0108 0.219 0.219
Loa Loa (eye worm) hypothetical protein 0.0107 0.2176 0.9938
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0169 0.368 0.368
Loa Loa (eye worm) hypothetical protein 0.0026 0.0194 0.0887
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0026 0.0194 0.0194
Echinococcus granulosus voltage gated potassium channel 0.0026 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0026 0.0194 0.0887
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0429 1 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0429 1 1
Schistosoma mansoni hypothetical protein 0.0251 0.5682 0.5682
Plasmodium falciparum cGMP-dependent protein kinase 0.0018 0 0.5
Echinococcus granulosus hyperpolarization activated cyclic 0.0429 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0026 0.0194 0.0194
Entamoeba histolytica protein kinase, putative 0.0108 0.219 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.219 0.5
Echinococcus granulosus Ion_trans_N domain containing protein 0.0251 0.5682 0.5682
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0026 0.0194 0.0887
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0026 0.0194 0.0887
Entamoeba histolytica protein kinase, putative 0.0108 0.219 0.5
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0026 0.0194 0.0887
Echinococcus multilocularis hyperpolarization activated cyclic 0.0429 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0194 0.0194
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0194 0.0194
Entamoeba histolytica hypothetical protein 0.0108 0.219 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0026 0.0194 0.0194
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0194 0.0194
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0178 0.3887 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.219 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0026 0.0194 0.0194
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0429 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0194 0.0194
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.219 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0107 0.2176 0.9938
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0194 0.0194
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.219 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0429 1 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0026 0.0194 0.0887
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0026 0.0194 0.0194
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.219 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0026 0.0194 0.0194

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 3.245 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.