Detailed information for compound 808735

Basic information

Technical information
  • TDR Targets ID: 808735
  • Name: (E)-3-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2 -phenylpyrazol-4-yl)prop-2-enamide
  • MW: 412.28 | Formula: C20H18BrN3O2
  • H donors: 1 H acceptors: 2 LogP: 4.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)C=Cc1ccc(cc1)Br
  • InChi: 1S/C20H18BrN3O2/c1-14-19(20(26)24(23(14)2)17-6-4-3-5-7-17)22-18(25)13-10-15-8-11-16(21)12-9-15/h3-13H,1-2H3,(H,22,25)/b13-10+
  • InChiKey: XVCPEPODYMYHGI-JLHYYAGUSA-N  

Network

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Synonyms

  • 3-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
  • (E)-3-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide
  • 3-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide
  • (E)-3-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)prop-2-enamide
  • 3-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)prop-2-enamide
  • (E)-3-(4-bromophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)acrylamide
  • 3-(4-bromophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)acrylamide
  • CBMicro_011825
  • BIM-0011695.P001
  • ZINC01214965

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 Serotonin receptor 0.0136 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0136 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0136 1 1
Echinococcus multilocularis neuropeptide receptor 0.0136 1 1
Echinococcus granulosus hypothetical protein 0.0136 1 1
Echinococcus granulosus g protein coupled receptor 0.0136 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0136 1 1
Schistosoma mansoni neuropeptide receptor 0.0136 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Echinococcus granulosus allatostatin A receptor 0.0136 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0136 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0136 1 1
Brugia malayi larval opioid receptor 0.0136 1 1
Brugia malayi hypothetical protein 0.0136 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0136 1 1
Brugia malayi hypothetical protein 0.0136 1 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0064 0.3782 0.2582
Echinococcus granulosus neuropeptide receptor 0.0136 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0136 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0136 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0136 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0136 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0136 1 1
Schistosoma mansoni opsin-like receptor 0.0136 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Brugia malayi hypothetical protein 0.0136 1 1
Echinococcus granulosus fmrfamide receptor 0.0136 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus multilocularis allatostatin A receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0098 0.6716 0.4462
Brugia malayi G-protein coupled receptor 0.0136 1 1
Brugia malayi G-protein coupled receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0136 1 1
Brugia malayi Dopamine receptor protein 2 0.0136 1 1
Echinococcus granulosus g protein coupled receptor 0.0136 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0136 1 1
Brugia malayi hypothetical protein 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus granulosus g-protein coupled receptor 0.0136 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0081 0.5208 0.5208
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0136 1 1
Schistosoma mansoni biogenic amine receptor 0.0136 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0136 1 1
Brugia malayi Dopamine receptor protein 1 0.0136 1 1
Brugia malayi Melatonin receptor type 1A 0.0136 1 1
Schistosoma mansoni hypothetical protein 0.0136 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus multilocularis serotonin receptor 0.0136 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0136 1 1
Brugia malayi RE15519p 0.0136 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0136 1 1
Brugia malayi hypothetical protein 0.0136 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0136 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0136 1 1
Brugia malayi ORL1-like opioid receptor 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0136 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0136 1 1
Brugia malayi neuropeptide F receptor 0.0136 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0136 1 1
Brugia malayi G protein-coupled receptor 0.0136 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0136 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0136 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0136 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0136 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.6924 0.6924
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Brugia malayi neuropeptide F receptor 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Schistosoma mansoni hypothetical protein 0.0136 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0136 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0136 1 1
Brugia malayi hypothetical protein 0.0136 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0136 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0136 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0136 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0136 1 1
Echinococcus multilocularis fmrfamide receptor 0.0136 1 1
Echinococcus multilocularis sex peptide receptor 0.0136 1 1
Echinococcus multilocularis neuropeptide receptor 0.0136 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0136 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0136 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0136 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0136 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0136 1 1
Echinococcus multilocularis g protein coupled receptor 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Echinococcus multilocularis serotonin receptor 0.0136 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0136 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0136 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0136 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0136 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0136 1 1
Echinococcus granulosus sex peptide receptor 0.0136 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0136 1 1
Loa Loa (eye worm) glutamate receptor 0.0032 0.096 0.096
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0099 0.6826 0.4647
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0136 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0136 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0136 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0136 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0136 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0136 1 1
Echinococcus granulosus g protein coupled receptor 0.0136 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0136 1 0.5
Echinococcus granulosus orexin receptor type 2 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Brugia malayi sulfakinin receptor protein 0.0136 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0136 1 1
Echinococcus granulosus neuropeptide s receptor 0.0136 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0136 1 1
Schistosoma mansoni opsin-like receptor 0.0136 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0067 0.4071 0.2927
Schistosoma mansoni growth hormone secretagogue receptor 0.0136 1 1
Echinococcus multilocularis fmrfamide receptor 0.0136 1 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0073 0.4549 0.4549
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0136 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0136 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0136 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Schistosoma mansoni hypothetical protein 0.0136 1 1
Schistosoma mansoni opsin-like receptor 0.0136 1 1
Brugia malayi GnHR receptor homolog 0.0136 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0136 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0136 1 1
Schistosoma mansoni amine GPCR 0.0136 1 1
Brugia malayi hypothetical protein 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni neuropeptide receptor 0.0136 1 1
Echinococcus multilocularis g protein coupled receptor 0.0136 1 1
Echinococcus granulosus neuropeptide receptor 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Onchocerca volvulus 0.0136 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.6149 0.6149
Schistosoma mansoni neuropeptide receptor 0.0136 1 1
Brugia malayi AKH receptor 0.0136 1 1
Brugia malayi Serotonin receptor 0.0136 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0136 1 1
Schistosoma mansoni biogenic amine receptor 0.0136 1 1
Echinococcus multilocularis orexin receptor type 2 0.0136 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0136 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0136 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0136 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0136 1 1
Schistosoma mansoni amine GPCR 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Onchocerca volvulus 0.0136 1 0.5
Schistosoma mansoni adenoreceptor 0.0136 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0136 1 1
Brugia malayi hypothetical protein 0.0136 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0099 0.6826 0.4647
Echinococcus granulosus serotonin receptor 0.0136 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0136 1 1
Echinococcus multilocularis g protein coupled receptor 0.0136 1 1
Brugia malayi hypothetical protein 0.0136 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0136 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.399 0.399
Loa Loa (eye worm) hypothetical protein 0.0099 0.6826 0.6826
Echinococcus multilocularis rhodopsin orphan GPCR 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Schistosoma mansoni biogenic amine receptor 0.0136 1 1
Brugia malayi follicle stimulating hormone receptor 0.0136 1 1
Schistosoma mansoni hypothetical protein 0.0136 1 1
Loa Loa (eye worm) glutamate receptor 0.0081 0.5208 0.5208
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0136 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0136 1 1
Schistosoma mansoni myosin xvIII 0.0136 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0136 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni histamine h1 receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Brugia malayi metabotropic glutamate receptor type 2 0.0039 0.1618 0.1618
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0136 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0136 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0136 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0136 1 1
Schistosoma mansoni amine GPCR 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0136 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0092 0.6168 0.5428
Echinococcus multilocularis somatostatin receptor 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0136 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0136 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0136 1 1
Brugia malayi Dopamine receptor 0.0136 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0136 1 1
Brugia malayi putative neuropeptide receptor 0.0136 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0136 1 1
Echinococcus granulosus somatostatin receptor 0.0136 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0136 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0136 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0136 1 1
Onchocerca volvulus 0.0136 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0136 1 1
Echinococcus granulosus G protein coupled receptor 139 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni amine GPCR 0.0136 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0136 1 1
Schistosoma mansoni amine GPCR 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0136 1 1

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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