Detailed information for compound 173128

Basic information

Technical information
  • TDR Targets ID: 173128
  • Name: (E)-4-(4-dimethylaminophenyl)but-3-en-2-one
  • MW: 189.254 | Formula: C12H15NO
  • H donors: 0 H acceptors: 1 LogP: 2.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)/C=C/c1ccc(cc1)N(C)C
  • InChi: 1S/C12H15NO/c1-10(14)4-5-11-6-8-12(9-7-11)13(2)3/h4-9H,1-3H3/b5-4+
  • InChiKey: IAMOQOMGCKCSEJ-SNAWJCMRSA-N  

Network

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Synonyms

  • (E)-4-(4-dimethylaminophenyl)-3-buten-2-one
  • 4-(4-N,N-dimethylaminophenyl)but-3-en-2-one
  • 4-(4-dimethylaminophenyl)but-3-en-2-one
  • 5432-53-1
  • 30625-58-2
  • 3-Buten-2-one, 4-(4-(dimethylamino)phenyl)-
  • SBB017113
  • 4-(4-(Dimethylamino)phenyl)-3-buten-2-one
  • AI3-31810
  • DMAPB
  • 3-Buten-2-one, 4-[4-(dimethylamino)phenyl]-
  • 3-Buten-2-one, 4-[p-(dimethylamino)phenyl]-
  • NSC11433
  • ZINC00159652

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
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0078 1 1
Brugia malayi AKH receptor 0.0078 1 1
Brugia malayi G-protein coupled receptor 0.0078 1 1
Brugia malayi hypothetical protein 0.0078 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Brugia malayi ORL1-like opioid receptor 0.0078 1 1
Brugia malayi neuropeptide F receptor 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 1 1
Echinococcus granulosus allatostatin A receptor 0.0078 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0078 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0078 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0051 0.2979 0.2979
Onchocerca volvulus 0.0078 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Onchocerca volvulus 0.0078 1 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0078 1 1
Schistosoma mansoni amine GPCR 0.0078 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0078 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0051 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Schistosoma mansoni hypothetical protein 0.0078 1 1
Brugia malayi sulfakinin receptor protein 0.0078 1 1
Echinococcus multilocularis orexin receptor type 2 0.0078 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0078 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus granulosus fmrfamide receptor 0.0078 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0078 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0078 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 1 1
Brugia malayi hypothetical protein 0.0078 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 1 1
Brugia malayi Dopamine receptor protein 2 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus granulosus g-protein coupled receptor 0.0078 1 1
Schistosoma mansoni opsin-like receptor 0.0078 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0078 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0078 1 1
Brugia malayi Dopamine receptor 0.0078 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0078 1 1
Echinococcus granulosus g protein coupled receptor 0.0078 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 1 1
Echinococcus multilocularis g protein coupled receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0078 1 1
Echinococcus multilocularis fmrfamide receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus multilocularis g protein coupled receptor 0.0078 1 1
Echinococcus multilocularis fmrfamide receptor 0.0078 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0078 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0078 1 1
Brugia malayi hypothetical protein 0.0078 1 1
Schistosoma mansoni adenoreceptor 0.0078 1 1
Echinococcus multilocularis serotonin receptor 0.0078 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Schistosoma mansoni neuropeptide receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Brugia malayi GnHR receptor homolog 0.0078 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0051 0.2979 1
Brugia malayi follicle stimulating hormone receptor 0.0078 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0078 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0051 0.2979 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0078 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 1 1
Schistosoma mansoni biogenic amine receptor 0.0078 1 1
Schistosoma mansoni histamine h1 receptor 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Brugia malayi Dopamine receptor protein 1 0.0078 1 1
Echinococcus granulosus sex peptide receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Brugia malayi Proteasome A-type and B-type family protein 0.0051 0.2979 0.2979
Brugia malayi hypothetical protein 0.0078 1 1
Echinococcus granulosus neuropeptide s receptor 0.0078 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0051 0.2979 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0078 1 1
Echinococcus multilocularis serotonin receptor 0.0078 1 1
Echinococcus granulosus somatostatin receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0078 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0078 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0078 1 1
Brugia malayi hypothetical protein 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Brugia malayi hypothetical protein 0.0078 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0051 0.2979 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0078 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0078 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0078 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0078 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0078 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0078 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0078 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0078 1 1
Brugia malayi Serotonin receptor 0.0078 1 1
Brugia malayi G-protein coupled receptor 0.0078 1 1
Brugia malayi hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0051 0.2979 1
Brugia malayi Melatonin receptor type 1A 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0078 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0051 0.2979 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 1 1
Echinococcus granulosus g protein coupled receptor 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Plasmodium vivax proteasome subunit beta type-5, putative 0.0051 0.2979 1
Echinococcus granulosus proteasome prosome macropain 0.0051 0.2979 0.2979
Onchocerca volvulus 0.0078 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Brugia malayi putative neuropeptide receptor 0.0078 1 1
Echinococcus granulosus G protein coupled receptor 139 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 1 1
Schistosoma mansoni hypothetical protein 0.0078 1 1
Echinococcus multilocularis somatostatin receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0078 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0078 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0078 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0078 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0078 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0078 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0051 0.2979 0.2979
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0051 0.2979 0.2979
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0051 0.2979 0.5
Brugia malayi RE15519p 0.0078 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Brugia malayi larval opioid receptor 0.0078 1 1
Brugia malayi hypothetical protein 0.0078 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0078 1 1
Schistosoma mansoni amine GPCR 0.0078 1 1
Schistosoma mansoni neuropeptide receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus granulosus neuropeptide receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Schistosoma mansoni amine GPCR 0.0078 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0078 1 1
Echinococcus multilocularis allatostatin A receptor 0.0078 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0078 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Schistosoma mansoni opsin-like receptor 0.0078 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0078 1 1
Schistosoma mansoni myosin xvIII 0.0078 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0078 1 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0051 0.2979 1
Echinococcus multilocularis neuropeptides capa receptor 0.0078 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 1 1
Schistosoma mansoni biogenic amine receptor 0.0078 1 1
Schistosoma mansoni hypothetical protein 0.0078 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0078 1 1
Echinococcus granulosus g protein coupled receptor 0.0078 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 1 1
Schistosoma mansoni neuropeptide receptor 0.0078 1 1
Schistosoma mansoni amine GPCR 0.0078 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0078 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0078 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0078 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0078 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0078 1 1
Echinococcus multilocularis neuropeptide receptor 0.0078 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0078 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0078 1 1
Schistosoma mansoni neuropeptide receptor 0.0078 1 1
Echinococcus granulosus serotonin receptor 0.0078 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0078 1 1
Mycobacterium ulcerans proteasome PrcB 0.0051 0.2979 0.5
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0051 0.2979 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0078 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0078 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0078 1 1
Schistosoma mansoni amine GPCR 0.0078 1 1
Echinococcus granulosus hypothetical protein 0.0078 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0078 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0078 1 1
Echinococcus granulosus neuropeptide receptor 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0078 1 1
Echinococcus multilocularis sex peptide receptor 0.0078 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Brugia malayi hypothetical protein 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus multilocularis neuropeptide receptor 0.0078 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0078 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0078 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0078 1 1
Onchocerca volvulus 0.0078 1 0.5
Schistosoma mansoni opsin-like receptor 0.0078 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0078 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0078 1 1
Schistosoma mansoni hypothetical protein 0.0078 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0078 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Brugia malayi Serotonin receptor 0.0078 1 1
Brugia malayi neuropeptide F receptor 0.0078 1 1
Brugia malayi G protein-coupled receptor 0.0078 1 1
Schistosoma mansoni biogenic amine receptor 0.0078 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0078 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0078 1 0.5
Echinococcus granulosus orexin receptor type 2 0.0078 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0078 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0078 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0078 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0078 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 0.2979 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 90 uM In vitro cell growth inhibitory activity against K562 human chronic myelogenous leukemia cell line ChEMBL. No reference
IC50 (functional) = 90 uM In vitro cell growth inhibitory activity against K562 human chronic myelogenous leukemia cell line 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.

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