Detailed information for compound 1445040

Basic information

Technical information
  • TDR Targets ID: 1445040
  • Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]- N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5 -carboxamide
  • MW: 408.225 | Formula: C16H15BrFN5O2
  • H donors: 1 H acceptors: 4 LogP: 2.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)CNC(=O)c1onc(n1)Cn1nc(c(c1C)Br)C
  • InChi: 1S/C16H15BrFN5O2/c1-9-14(17)10(2)23(21-9)8-13-20-16(25-22-13)15(24)19-7-11-4-3-5-12(18)6-11/h3-6H,7-8H2,1-2H3,(H,19,24)
  • InChiKey: ZRTAKVJJMATIHY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
  • 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
  • 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-fluorobenzyl)-1,2,4-oxadiazole-5-carboxamide
  • ZINC04726711
  • NCGC00102856-01
  • A3846/0163336

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1174 0.111
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0021 0.0235 0.0165
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0074 0.1497 0.1441
Loa Loa (eye worm) hypothetical protein 0.0125 0.2749 0.2707
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0127 0.2786 0.2744
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.018 0.0157
Schistosoma mansoni serine/threonine protein kinase 0.0127 0.2786 0.2786
Schistosoma mansoni protein kinase 0.03 0.6971 0.6971
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1174 0.111
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0125 0.2749 0.2749
Loa Loa (eye worm) hypothetical protein 0.0125 0.2749 0.2707
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.138 1
Schistosoma mansoni hypothetical protein 0.0019 0.018 0.018
Schistosoma mansoni hypothetical protein 0.0019 0.018 0.018
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0015 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0019 0.018 0.018
Echinococcus granulosus voltage gated potassium channel 0.0021 0.0235 0.0165
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0021 0.0235 0.0164
Loa Loa (eye worm) hypothetical protein 0.0019 0.018 0.011
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0127 0.2786 0.2744
Schistosoma mansoni voltage-gated potassium channel 0.0015 0.0071 0.0071
Brugia malayi Temporarily assigned gene name protein 59 0.0125 0.2749 0.2697
Schistosoma mansoni hypothetical protein 0.0041 0.0714 0.0714
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0125 0.2749 0.2749
Schistosoma mansoni voltage-gated potassium channel 0.008 0.166 0.166
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0015 0.0071 0.0071
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0235 0.0235
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.018 0.0157
Loa Loa (eye worm) hypothetical protein 0.0041 0.0714 0.0649
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0074 0.1497 0.1436
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0127 0.2786 0.2744
Echinococcus multilocularis GPCR, family 2 0.0019 0.018 0.0157
Schistosoma mansoni rap gtpase-activating protein 0.0125 0.2749 0.2749
Echinococcus multilocularis voltage gated potassium channel 0.0021 0.0235 0.0237
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.03 0.6971 0.6975
Echinococcus granulosus Vam6:Vps39 protein 0.0125 0.2749 0.2707
Schistosoma mansoni protein kinase 0.0426 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0021 0.0235 0.0237
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0071 0.0071
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.138 1
Echinococcus multilocularis 0.03 0.6971 1
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0125 0.2749 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0714 0.0647
Echinococcus granulosus protein kinase 0.03 0.6971 0.6975
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.018 0.011
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0125 0.2749 0.2707
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0071 0.0071
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0127 0.2786 0.3935
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0127 0.2786 0.3935
Schistosoma mansoni protein kinase 0.0127 0.2786 0.2786
Loa Loa (eye worm) hypothetical protein 0.0424 0.9963 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0235 0.0165
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.018 0.011
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0074 0.1497 0.1441
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1174 0.1114
Loa Loa (eye worm) hypothetical protein 0.0125 0.2749 0.2707
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0125 0.2749 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.018 0.011
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.018 0.0109
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.018 0.011
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0127 0.2786 0.2744
Onchocerca volvulus 0.0125 0.2749 0.5
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0125 0.2749 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1174 0.1114
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0125 0.2749 0.2749
Schistosoma mansoni serine/threonine protein kinase 0.0127 0.2786 0.2786
Schistosoma mansoni hypothetical protein 0.0019 0.018 0.018
Schistosoma mansoni vam6/vps39 related 0.0125 0.2749 0.2749
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0074 0.1497 0.2066
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0127 0.2786 0.3935
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0235 0.0235
Brugia malayi Latrophilin receptor protein 2 0.0019 0.018 0.0109
Schistosoma mansoni voltage-gated potassium channel 0.008 0.166 0.166
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0424 0.9963 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.1262 0.1204
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0125 0.2749 0.3881
Brugia malayi hypothetical protein 0.0125 0.2749 0.2697
Brugia malayi Protein kinase domain containing protein 0.0127 0.2786 0.2734

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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