Detailed information for compound 1374894

Basic information

Technical information
  • TDR Targets ID: 1374894
  • Name: 3-[1-(4-methylphenyl)pyrazol-3-yl]-1-phenylpy ridazin-4-one
  • MW: 328.367 | Formula: C20H16N4O
  • H donors: 0 H acceptors: 2 LogP: 3.89 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)n1ccc(n1)c1nn(ccc1=O)c1ccccc1
  • InChi: 1S/C20H16N4O/c1-15-7-9-17(10-8-15)23-13-11-18(21-23)20-19(25)12-14-24(22-20)16-5-3-2-4-6-16/h2-14H,1H3
  • InChiKey: YUCJVWLNVSVTMS-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[1-(4-methylphenyl)pyrazol-3-yl]-1-phenyl-pyridazin-4-one
  • 3-[1-(4-methylphenyl)-3-pyrazolyl]-1-phenyl-4-pyridazinone
  • Oprea1_612886
  • ZINC01392521
  • 3-[1-(4-methylphenyl)-1H-pyrazol-3-yl]-1-phenyl-4(1H)-pyridazinone
  • MLS000696029
  • SMR000334944
  • 5M-920

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
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.3214 1
Echinococcus granulosus expressed protein 0.0067 0.3214 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0067 0.3214 0.3214
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0065 0.3125 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.002 0.0594 0.1899
Schistosoma mansoni rotamase 0.0067 0.3214 1
Trichomonas vaginalis rotamase, putative 0.0067 0.3214 1
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0 0.5
Plasmodium vivax replication factor C subunit 1, putative 0.001 0 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.002 0.0594 0.1899
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0065 0.3125 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0 0.5
Treponema pallidum DNA ligase (lig) 0.001 0 0.5
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.002 0.0594 0.1899
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.002 0.0594 1
Loa Loa (eye worm) WEE protein kinase 0.0186 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.002 0.0594 0.1899
Echinococcus multilocularis expressed protein 0.0067 0.3214 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.3125 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0065 0.3125 1
Toxoplasma gondii peptidylprolyl isomerase 0.0065 0.3125 1
Onchocerca volvulus 0.001 0 0.5
Chlamydia trachomatis DNA ligase 0.001 0 0.5
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0065 0.3125 1
Giardia lamblia Replication factor C, subunit 1 0.001 0 0.5
Trichomonas vaginalis rotamase, putative 0.0065 0.3125 0.9724
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0067 0.3214 0.3214

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 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) 13.1154 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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