Detailed information for compound 1435864

Basic information

Technical information
  • TDR Targets ID: 1435864
  • Name: ethyl 3-amino-5-phenyl-1H-pyrazole-4-carboxyl ate
  • MW: 231.251 | Formula: C12H13N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(N)[nH]nc1c1ccccc1
  • InChi: 1S/C12H13N3O2/c1-2-17-12(16)9-10(14-15-11(9)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,13,14,15)
  • InChiKey: JRUYBHHBBGZBGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-amino-5-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
  • ZINC00433487
  • MLS000533003
  • SMR000140441

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) inositol-1 0.0045 0.0003 0.0003
Brugia malayi MBOAT family protein 0.0375 0.0769 0.0769
Mycobacterium leprae Probable lipase LipE 0.0043 0 0.5
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0375 0.0769 0.0769
Brugia malayi MBOAT family protein 0.0375 0.0769 0.0769
Entamoeba histolytica vacuolar protein sorting 26 0.0375 0.0769 1
Trichomonas vaginalis porcupine, putative 0.0375 0.0769 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0 0.5
Brugia malayi MBOAT family protein 0.0375 0.0769 0.0769
Trypanosoma cruzi glycerol uptake protein, putative 0.0375 0.0769 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0375 0.0769 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0039 0.0039
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0375 0.0769 0.0769
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0039 0.0039
Leishmania major glycerol uptake protein, putative 0.0375 0.0769 1
Echinococcus granulosus sterol O acyltransferase 1 0.0375 0.0769 0.0769
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0003 0.0034
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0375 0.0769 1
Loa Loa (eye worm) hhat protein 0.0375 0.0769 0.0769
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0039 0.0039
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0375 0.0769 0.0769
Brugia malayi Inositol-1 0.0045 0.0003 0.0003
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0375 0.0769 0.0769
Entamoeba histolytica hypothetical protein 0.0375 0.0769 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0375 0.0769 0.0769
Trypanosoma brucei glycerol uptake protein, putative 0.0375 0.0769 1
Loa Loa (eye worm) hypothetical protein 0.0375 0.0769 0.0769
Echinococcus granulosus zinc finger protein 0.3975 0.913 0.913
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0003 0.0034
Loa Loa (eye worm) MBOAT family protein 0.0375 0.0769 0.0769
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0003 0.0003
Trichomonas vaginalis transmembrane protein nessy, putative 0.0375 0.0769 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0003 1
Loa Loa (eye worm) hypothetical protein 0.0375 0.0769 0.0769
Loa Loa (eye worm) MBOAT family protein 0.435 1 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0375 0.0769 1
Loa Loa (eye worm) MBOAT family protein 0.0375 0.0769 0.0769
Leishmania major hypothetical protein, conserved 0.0375 0.0769 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0375 0.0769 0.0769
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0003 0.0034
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0375 0.0769 0.0769
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0375 0.0769 0.0769
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.435 1 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0375 0.0769 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0375 0.0769 1
Leishmania major glycerol uptake protein, putative 0.0375 0.0769 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.435 1 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0375 0.0769 0.0769
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0375 0.0769 0.0769
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0375 0.0769 1
Treponema pallidum alginate O-acetylation protein (algI) 0.0375 0.0769 0.5
Brugia malayi diacylglycerol acyltransferase 0.0375 0.0769 0.0769
Trichomonas vaginalis conserved hypothetical protein 0.0375 0.0769 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0003 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0375 0.0769 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0003 0.0034
Echinococcus multilocularis sterol O acyltransferase 1 0.0375 0.0769 0.0769
Schistosoma mansoni hypothetical protein 0.0375 0.0769 0.0769
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0375 0.0769 0.0769
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0375 0.0769 0.0769
Leishmania major glycerol uptake protein, putative 0.0375 0.0769 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0039 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0375 0.0769 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0003 0.0034
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0003 0.0003
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0375 0.0769 0.0769
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0003 0.0034
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0003 0.0034
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0375 0.0769 0.0769
Trypanosoma cruzi GUP1, putative 0.0375 0.0769 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0375 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0375 0.0769 0.0769
Echinococcus granulosus o acyltransferase membrane bound domain 0.0375 0.0769 0.0769
Entamoeba histolytica hypothetical protein, conserved 0.0375 0.0769 1
Schistosoma mansoni sterol O-acyltransferase 1 0.0375 0.0769 0.0769
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0375 0.0769 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0375 0.0769 0.0769
Onchocerca volvulus 0.0375 0.0769 1
Brugia malayi MBOAT family protein 0.0375 0.0769 0.0769
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0003 0.0034
Trypanosoma cruzi glycerol uptake protein, putative 0.0375 0.0769 1
Toxoplasma gondii hypothetical protein 0.0375 0.0769 1
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0375 0.0769 0.0769
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0375 0.0769 0.0769
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0375 0.0769 0.0769
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0544 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0375 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0375 0.0769 0.0769
Leishmania major glycerol uptake protein, putative 0.0375 0.0769 1
Trypanosoma brucei glycerol uptake protein, putative 0.0375 0.0769 1
Schistosoma mansoni zinc finger protein 0.435 1 1
Echinococcus multilocularis zinc finger protein 0.3975 0.913 0.913
Schistosoma mansoni inositol monophosphatase 0.0045 0.0003 0.0003
Brugia malayi Hhat protein 0.0375 0.0769 0.0769
Leishmania major glycerol uptake protein, putative 0.0375 0.0769 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0003 0.0003
Loa Loa (eye worm) hhat protein 0.0375 0.0769 0.0769
Trypanosoma cruzi GUP1, putative 0.0375 0.0769 1
Trichomonas vaginalis conserved hypothetical protein 0.0375 0.0769 1
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0375 0.0769 0.0769

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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