Detailed information for compound 1551802

Basic information

Technical information
  • TDR Targets ID: 1551802
  • Name: 4-[bis(4-bromophenyl)phosphorylamino]-1,5-dim ethyl-2-phenylpyrazol-3-one
  • MW: 561.206 | Formula: C23H20Br2N3O2P
  • H donors: 1 H acceptors: 2 LogP: 6.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc(cc1)P(=O)(c1ccc(cc1)Br)Nc1c(C)n(n(c1=O)c1ccccc1)C
  • InChi: 1S/C23H20Br2N3O2P/c1-16-22(23(29)28(27(16)2)19-6-4-3-5-7-19)26-31(30,20-12-8-17(24)9-13-20)21-14-10-18(25)11-15-21/h3-15H,1-2H3,(H,26,30)
  • InChiKey: OKDWFDHCSUYVOB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[bis(4-bromophenyl)phosphorylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one
  • 4-[bis(4-bromophenyl)phosphorylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone
  • MLS001018129
  • SMR000354306
  • T0500-4185

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
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0194 0.2791 0.2791
Loa Loa (eye worm) animal heme peroxidase 0.0363 0.62 0.62
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0056 0 0.5
Toxoplasma gondii prolyl endopeptidase 0.0172 0.235 0.8419
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Echinococcus multilocularis prolyl endopeptidase 0.0172 0.235 0.235
Trypanosoma cruzi oligopeptidase b 0.0094 0.0769 0.2754
Onchocerca volvulus Peroxidase homolog 0.0363 0.62 0.5033
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0172 0.235 0.235
Schistosoma mansoni peroxidasin 0.0363 0.62 0.62
Trypanosoma cruzi oligopeptidase b 0.0094 0.0769 0.2754
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Loa Loa (eye worm) blistered cuticle protein 3 0.0363 0.62 0.62
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0194 0.2791 0.2791
Trypanosoma cruzi prolyl endopeptidase 0.0172 0.235 0.8419
Brugia malayi Animal haem peroxidase family protein 0.0363 0.62 0.62
Entamoeba histolytica hypothetical protein, conserved 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.025 0.3915 0.3915
Loa Loa (eye worm) animal heme peroxidase 0.0363 0.62 0.62
Loa Loa (eye worm) hypothetical protein 0.006 0.0081 0.0081
Brugia malayi hypothetical protein 0.0363 0.62 0.62
Onchocerca volvulus 0.025 0.3915 0.2046
Loa Loa (eye worm) animal heme peroxidase 0.0363 0.62 0.62
Onchocerca volvulus 0.025 0.3915 0.2046
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0194 0.2791 1
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Brugia malayi Peroxidasin 0.0363 0.62 0.62
Loa Loa (eye worm) prolyl oligopeptidase 0.0551 1 1
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Brugia malayi Animal haem peroxidase family protein 0.0363 0.62 0.62
Onchocerca volvulus Dual oxidase homolog 0.0363 0.62 0.5033
Onchocerca volvulus Peroxidasin homolog 0.0363 0.62 0.5033
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.025 0.3915 0.3915
Plasmodium vivax hypothetical protein, conserved 0.0056 0 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0194 0.2791 1
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Echinococcus granulosus prolyl endopeptidase 0.0172 0.235 0.235
Onchocerca volvulus Peroxidase homolog 0.0363 0.62 0.5033
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Echinococcus granulosus Dipeptidyl peptidase 9 0.0194 0.2791 0.2791
Plasmodium falciparum peptidase, putative 0.0056 0 0.5
Trypanosoma brucei prolyl endopeptidase 0.0172 0.235 0.8419
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0094 0.0769 0.5
Trypanosoma brucei oligopeptidase b 0.0094 0.0769 0.2754
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0172 0.235 0.7818
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.025 0.3915 0.3915
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0094 0.0769 0.2754
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0194 0.2791 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0138 0.1655 0.1655
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0094 0.0769 0.2754
Echinococcus multilocularis peroxidasin 0.0363 0.62 0.62
Brugia malayi prolyl oligopeptidase family protein 0.0194 0.2791 0.2791
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.3566 0.3566
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0551 1 1
Onchocerca volvulus 0.0363 0.62 0.5033
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0551 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0172 0.235 0.235
Brugia malayi Animal haem peroxidase family protein 0.0363 0.62 0.62
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0 0.5
Brugia malayi Cation transporter family protein 0.025 0.3915 0.3915
Onchocerca volvulus 0.025 0.3915 0.2046
Brugia malayi Blistered cuticle protein 3 0.0363 0.62 0.62
Echinococcus granulosus peroxidasin 0.0363 0.62 0.62
Loa Loa (eye worm) hypothetical protein 0.025 0.3915 0.3915
Brugia malayi Animal haem peroxidase family protein 0.0363 0.62 0.62
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0056 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0081 0.0081
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0081 0.0081
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0081 0.0081
Onchocerca volvulus 0.0363 0.62 0.5033
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0551 1 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0194 0.2791 1
Brugia malayi Animal haem peroxidase family protein 0.0363 0.62 0.62
Schistosoma mansoni peroxidasin 0.0363 0.62 0.62
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0551 1 1
Brugia malayi hypothetical protein 0.0138 0.1655 0.1655
Onchocerca volvulus Chorion peroxidase homolog 0.0363 0.62 0.5033
Brugia malayi prolyl oligopeptidase family protein 0.0172 0.235 0.235
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0172 0.235 0.235
Trichomonas vaginalis conserved hypothetical protein 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Loa Loa (eye worm) animal heme peroxidase 0.0363 0.62 0.62
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0194 0.2791 1
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0116 0.1213 1
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0094 0.0769 0.5
Onchocerca volvulus 0.0363 0.62 0.5033
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0194 0.2791 1
Loa Loa (eye worm) hypothetical protein 0.0363 0.62 0.62
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0094 0.0769 0.2754
Onchocerca volvulus Peroxidasin homolog 0.0363 0.62 0.5033
Trypanosoma brucei prolyl oligopeptidase, putative 0.0094 0.0769 0.2754

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No 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 (functional) 35.4813 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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