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