Detailed information for compound 224963

Basic information

Technical information
  • TDR Targets ID: 224963
  • Name: 2-[(3-chlorophenyl)methyl]-4-pyridin-3-ylphth alazin-1-one
  • MW: 347.798 | Formula: C20H14ClN3O
  • H donors: 0 H acceptors: 2 LogP: 3.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)Cn1nc(c2cccnc2)c2c(c1=O)cccc2
  • InChi: 1S/C20H14ClN3O/c21-16-7-3-5-14(11-16)13-24-20(25)18-9-2-1-8-17(18)19(23-24)15-6-4-10-22-12-15/h1-12H,13H2
  • InChiKey: KHCOBKHCNYPAGQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(3-chlorophenyl)methyl]-4-(3-pyridyl)phthalazin-1-one
  • 2-[(3-chlorophenyl)methyl]-4-(3-pyridyl)-1-phthalazinone
  • 2-[(3-chlorophenyl)methyl]-4-pyridin-3-yl-phthalazin-1-one
  • 2-(3-chlorobenzyl)-4-(3-pyridyl)phthalazin-1-one

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
Loa Loa (eye worm) hypothetical protein 0.005 0.3293 0.3293
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.2097 0.4775
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.338 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.1004 0.2969
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.338 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.1004 0.1904
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.338 1
Leishmania major DNA polymerase eta, putative 0.005 0.3293 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.1004 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.1004 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.338 1
Echinococcus multilocularis dna polymerase kappa 0.0022 0.1004 0.2969
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.1004 0.1904
Loa Loa (eye worm) transcription factor SMAD2 0.0133 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.338 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.338 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.338 1
Echinococcus granulosus dna polymerase eta 0.005 0.3293 0.9742
Leishmania major DNA polymerase eta, putative 0.0035 0.2097 0.4775
Trypanosoma brucei unspecified product 0.0022 0.1004 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.3293 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.1004 0.2969
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.338 0.338
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.1004 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.1004 0.2969
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.2097 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.1004 0.1004
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 1 1
Echinococcus granulosus dna polymerase kappa 0.0022 0.1004 0.2969
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.1004 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.1004 0.5
Giardia lamblia DINP protein human, muc B family 0.0022 0.1004 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.1004 0.1004
Schistosoma mansoni DNA polymerase eta 0.005 0.3293 0.9742
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.1004 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.3293 0.3293
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.1004 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.3293 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.1004 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.338 0.338
Echinococcus multilocularis dna polymerase eta 0.005 0.3293 0.9742
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.1004 0.2969
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1004 0.1904

Activities

Activity type Activity value Assay description Source Reference
-Log IC50 (functional) = 5.38 In vitro bronchodilatory activity in guinea pig isolated tracheal strips ChEMBL. 8258828
Inhibition (binding) = 95 % Tested in vitro against rabbit thromboxane A2 synthetase (TXA2) at 1 microM ChEMBL. 8258828
Inhibition (binding) = 95 % Tested in vitro against rabbit thromboxane A2 synthetase (TXA2) at 1 microM ChEMBL. 8258828

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

1 literature reference was collected for this gene.

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