Detailed information for compound 1571951

Basic information

Technical information
  • TDR Targets ID: 1571951
  • Name: 4-bromo-N-(3,5-dimethylphenyl)-2-ethylpyrazol e-3-carboxamide
  • MW: 322.2 | Formula: C14H16BrN3O
  • H donors: 1 H acceptors: 2 LogP: 3.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1ncc(c1C(=O)Nc1cc(C)cc(c1)C)Br
  • InChi: 1S/C14H16BrN3O/c1-4-18-13(12(15)8-16-18)14(19)17-11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H,17,19)
  • InChiKey: IUSUDYRPZILJLB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-bromo-N-(3,5-dimethylphenyl)-2-ethyl-pyrazole-3-carboxamide
  • 4-bromo-N-(3,5-dimethylphenyl)-2-ethyl-3-pyrazolecarboxamide
  • ZINC00371940
  • 4-bromo-N-(3,5-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
  • MLS000703960
  • SMR000227866
  • AK-968/40946410

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis AGC family protein kinase 0.0143 0.2046 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0027 0.0027
Giardia lamblia Kinase, AGC PKA 0.0143 0.2046 0.5
Schistosoma mansoni protein kinase 0.019 0.2803 0.2803
Echinococcus granulosus tyrosine protein kinase Src42A 0.0054 0.0593 0.0597
Brugia malayi Ets-domain containing protein 0.0087 0.1138 0.1138
Echinococcus granulosus tyrosine protein kinase Lyn 0.0058 0.0656 0.066
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.019 0.2803 0.4017
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0186 0.274 0.3927
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.1138 0.1145
Echinococcus granulosus tyrosine kinase 0.0045 0.0454 0.0457
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0696 0.0696
Echinococcus granulosus tyrosine protein kinase Src64B 0.0054 0.0593 0.0597
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0386 0.0386
Brugia malayi Tyrosine-protein kinase abl-1 0.002 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0019 0.0027 0.0028
Echinococcus multilocularis 0.0447 0.6978 1
Onchocerca volvulus 0.0186 0.274 0.5
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0143 0.2046 0.5
Brugia malayi Ets-domain containing protein 0.0087 0.1138 0.1138
Echinococcus multilocularis c src tyrosine kinase 0.002 0.004 0.0057
Echinococcus granulosus protein kinase 0.0447 0.6978 0.7022
Schistosoma mansoni gabp alpha 0.0087 0.1138 0.1138
Brugia malayi Protein kinase domain containing protein 0.019 0.2803 0.2803
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0143 0.2046 0.2932
Loa Loa (eye worm) hypothetical protein 0.0186 0.274 0.2757
Schistosoma mansoni rap gtpase-activating protein 0.0186 0.274 0.274
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0054 0.0593 0.085
Echinococcus granulosus tyrosine protein kinase Src42A 0.0043 0.0414 0.0416
Echinococcus multilocularis tyrosine protein kinase Srms 0.0045 0.0454 0.065
Loa Loa (eye worm) AGC/PKA protein kinase 0.0143 0.2046 0.2059
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0593 0.085
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0696 0.0696
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0186 0.274 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0027 0.0039
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0593 0.0597
Loa Loa (eye worm) hypothetical protein 0.0075 0.0932 0.0938
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.019 0.2803 0.4017
Toxoplasma gondii AGC kinase 0.0143 0.2046 0.5
Leishmania major protein kinase A catalytic subunit 0.0143 0.2046 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0696 0.07
Brugia malayi protein-tyrosine kinase 0.0045 0.0454 0.0454
Loa Loa (eye worm) AGC/PKA protein kinase 0.0143 0.2046 0.2059
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0054 0.0593 0.085
Brugia malayi Temporarily assigned gene name protein 59 0.0186 0.274 0.274
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0054 0.0593 0.0597
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0186 0.274 0.274
Loa Loa (eye worm) hypothetical protein 0.0629 0.9937 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.274 0.2757
Echinococcus granulosus tyrosine protein kinase Blk 0.0045 0.0454 0.0457
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0143 0.2046 0.2059
Schistosoma mansoni tyrosine kinase 0.0054 0.0593 0.0593
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0143 0.2046 0.2932
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.002 0.004 0.004
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0143 0.2046 0.2059
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0629 0.9937 1
Brugia malayi Fli-1 protein 0.0265 0.4029 0.4029
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.019 0.2803 0.4017
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0186 0.274 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0027 0.0027
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0593 0.085
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0027 0.0028
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0139 0.1982 0.1995
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0054 0.0593 0.085
Loa Loa (eye worm) SRC-1 0.0054 0.0593 0.0597
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0186 0.274 1
Schistosoma mansoni serine/threonine protein kinase 0.019 0.2803 0.2803
Toxoplasma gondii AGC kinase 0.0143 0.2046 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0027 0.0039
Echinococcus multilocularis tyrosine protein kinase Abl 0.002 0.004 0.0057
Leishmania major protein kinase A catalytic subunit isoform 1 0.0143 0.2046 0.5
Echinococcus granulosus tyrosine protein kinase Btk29A 0.002 0.004 0.004
Schistosoma mansoni tyrosine kinase 0.002 0.004 0.004
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.2046 0.2046
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0041 0.0386 0.0386
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0593 0.085
Echinococcus multilocularis tyrosine protein kinase Blk 0.0045 0.0454 0.065
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0447 0.6978 0.7022
Loa Loa (eye worm) hypothetical protein 0.0143 0.2046 0.2059
Echinococcus granulosus c src tyrosine kinase 0.002 0.004 0.004
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0143 0.2046 0.2932
Schistosoma mansoni protein kinase 0.0447 0.6978 0.6978
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0054 0.0593 0.0597
Schistosoma mansoni protein kinase 0.0633 1 1
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0143 0.2046 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0054 0.0593 0.085
Schistosoma mansoni vam6/vps39 related 0.0186 0.274 0.274
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0186 0.274 0.2757
Schistosoma mansoni hypothetical protein 0.0186 0.274 0.274
Loa Loa (eye worm) TK protein kinase 0.0037 0.0311 0.0313
Entamoeba histolytica PH domain containing protein kinase, putative 0.0143 0.2046 1
Loa Loa (eye worm) TK protein kinase 0.0045 0.0454 0.0457
Entamoeba histolytica PH domain containing protein kinase, putative 0.0143 0.2046 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0054 0.0593 0.085
Loa Loa (eye worm) hypothetical protein 0.006 0.0696 0.07
Schistosoma mansoni serine/threonine protein kinase 0.019 0.2803 0.2803
Brugia malayi SRC-1 0.0054 0.0593 0.0593
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.019 0.2803 0.2821
Loa Loa (eye worm) hypothetical protein 0.0186 0.274 0.2757
Schistosoma mansoni tyrosine kinase 0.0054 0.0593 0.0593
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0143 0.2046 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0027 0.0028
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.2046 0.2046
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0027 0.0039
Schistosoma mansoni tyrosine kinase 0.002 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0041 0.0386 0.0389
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0143 0.2046 0.2046
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.019 0.2803 0.2821
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0043 0.0414 0.0593
Brugia malayi hypothetical protein 0.0186 0.274 0.274
Leishmania major protein kinase A catalytic subunit isoform 2 0.0143 0.2046 0.5
Schistosoma mansoni ets-related 0.0265 0.4029 0.4029
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0186 0.274 0.274
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0593 0.0597
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.002 0.004 0.0057
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.019 0.2803 0.2821
Echinococcus granulosus tyrosine protein kinase HCK 0.0037 0.0311 0.0313
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0143 0.2046 0.2932
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.2046 0.2046
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0139 0.1982 0.2841
Schistosoma mansoni hypothetical protein 0.0019 0.0027 0.0027
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0045 0.0454 0.0457
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0593 0.0597
Echinococcus multilocularis tyrosine protein kinase HCK 0.0037 0.0311 0.0446
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0454 0.065
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.1138 0.1631
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0054 0.0593 0.085
Schistosoma mansoni hypothetical protein 0.0019 0.0027 0.0027
Loa Loa (eye worm) fli-1 protein 0.0265 0.4029 0.4054
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0027 0.0028
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0143 0.2046 0.2059
Echinococcus granulosus GPCR family 2 0.0019 0.0027 0.0028
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.019 0.2803 0.2821
Echinococcus granulosus Vam6:Vps39 protein 0.0186 0.274 0.2757
Schistosoma mansoni hypothetical protein 0.0019 0.0027 0.0027
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.1138 0.1145

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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