Detailed information for compound 1810279

Basic information

Technical information
  • TDR Targets ID: 1810279
  • Name: 3,5-bis(4-chlorophenyl)-1-phenyl-4,5-dihydrop yrazole
  • MW: 367.271 | Formula: C21H16Cl2N2
  • H donors: 0 H acceptors: 0 LogP: 6.28 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)Cl)c1ccccc1
  • InChi: 1S/C21H16Cl2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-13,21H,14H2
  • InChiKey: NTHVRFBJCARCTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 57845-06-4
  • 3,5-Bis(4-chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
  • 1H-Pyrazole, 4,5-dihydro-3,5-bis(4-chlorophenyl)-1-phenyl-
  • 2-Pyrazoline, 3,5-bis(4-chlorophenyl)-1-phenyl-
  • 3,5-Bis(4-chlorophenyl)-1-phenyl-2-pyrazoline
  • 5-23-09-00029 (Beilstein Handbook Reference)
  • BRN 0307071
  • 3,5-Bis-(4-chloro-phenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
  • BAS 00122845
  • A0629/0029174

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 high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0034 0.0479 0.0479
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0029 0.04 0.04
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0067 0.1115 0.1115
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0067 0.1115 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0034 0.0479 0.0479
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0034 0.0479 0.0479
Brugia malayi hypothetical protein 0.0539 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0034 0.0479 0.0479
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0067 0.1115 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0021 0.0249 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.003 0.0417 0.0417
Giardia lamblia hypothetical protein 0.0008 0 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0539 1 1
Brugia malayi Trypsin family protein 0.0539 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0034 0.0479 0.0479
Echinococcus granulosus Mastin 0.0539 1 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0539 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0067 0.1115 1
Brugia malayi Trypsin family protein 0.0539 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0034 0.0479 0.0479
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Mycobacterium leprae conserved hypothetical protein 0.0021 0.0249 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0959 0.8598
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.003 0.0405 0.3632
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.003 0.0405 0.0405
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Loa Loa (eye worm) hypothetical protein 0.0539 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0249 0.2231
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Loa Loa (eye worm) hypothetical protein 0.0539 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0539 1 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0027 0.0354 0.0354
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0539 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0034 0.0479 0.0479
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.003 0.0405 0.0405
Echinococcus multilocularis tyrosine protein kinase Srms 0.003 0.0417 0.0417
Mycobacterium ulcerans hypothetical protein 0.0539 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0046 0.071 0.6368
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Onchocerca volvulus 0.0539 1 0.5
Toxoplasma gondii hypothetical protein 0.0059 0.0959 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.003 0.0417 0.0417
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0067 0.1115 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0034 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0539 1 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0067 0.1115 0.1115
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0034 0.0479 0.0479
Onchocerca volvulus 0.0539 1 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0249 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0539 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0959 0.8598
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Schistosoma mansoni tyrosine kinase 0.0034 0.0479 0.0479
Entamoeba histolytica protein kinase, putative 0.0027 0.0354 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0067 0.1115 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0539 1 1
Echinococcus multilocularis glycoprotein Antigen 5 0.0539 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0029 0.04 0.04
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0539 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0034 0.0479 0.0479
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Echinococcus granulosus tyrosine protein kinase Blk 0.003 0.0417 0.0417
Echinococcus granulosus glycoprotein Antigen 5 0.0539 1 1
Toxoplasma gondii hypothetical protein 0.0021 0.0249 0.2594
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0067 0.1115 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0067 0.1115 1
Schistosoma mansoni hypothetical protein 0.0539 1 1
Loa Loa (eye worm) hypothetical protein 0.0539 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0067 0.1115 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0034 0.0479 0.0479
Schistosoma mansoni tyrosine kinase 0.0034 0.0479 0.0479
Loa Loa (eye worm) TK protein kinase 0.003 0.0417 0.0417
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0067 0.1115 1
Echinococcus multilocularis transmembrane protease serine 3 0.0539 1 1
Echinococcus multilocularis Mastin 0.0539 1 1
Schistosoma mansoni hypothetical protein 0.0539 1 1
Echinococcus granulosus enteropeptidase 0.0539 1 1
Toxoplasma gondii hypothetical protein 0.0021 0.0249 0.2594
Loa Loa (eye worm) hypothetical protein 0.0539 1 1
Echinococcus granulosus transmembrane protease serine 3 0.0539 1 1
Brugia malayi Trypsin family protein 0.0539 1 1
Brugia malayi SRC-1 0.0034 0.0479 0.0479
Plasmodium falciparum GAF domain-related protein, putative 0.0021 0.0249 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0034 0.0479 0.0479
Echinococcus granulosus tyrosine protein kinase HCK 0.0027 0.0354 0.0354
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0539 1 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0008 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0067 0.1115 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0067 0.1115 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0067 0.1115 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0034 0.0479 0.0479
Giardia lamblia Hypothetical protein 0.0008 0 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.003 0.0405 0.0405
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0067 0.1115 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0539 1 1
Loa Loa (eye worm) hypothetical protein 0.0539 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0034 0.0479 0.0479
Onchocerca volvulus 0.0539 1 0.5
Echinococcus multilocularis tyrosine protein kinase Blk 0.003 0.0417 0.0417
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0539 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0249 0.0249
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0034 0.0479 0.0479
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0067 0.1115 0.1115
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0539 1 1
Loa Loa (eye worm) hypothetical protein 0.0539 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0021 0.0249 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0046 0.071 0.6368
Brugia malayi Trypsin-like protease protein 5 0.0539 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.003 0.0405 0.3632
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Toxoplasma gondii GAF domain-containing protein 0.0021 0.0249 0.2594
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.003 0.0405 0.3632
Echinococcus granulosus tyrosine kinase 0.003 0.0417 0.0417
Onchocerca volvulus 0.0539 1 0.5
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0539 1 1
Echinococcus multilocularis enteropeptidase 0.0539 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0405 0.0405
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Onchocerca volvulus 0.0539 1 0.5
Onchocerca volvulus 0.0539 1 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0539 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0034 0.0479 0.0479
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0067 0.1115 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0067 0.1115 1
Loa Loa (eye worm) trypsin family protein 0.0539 1 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.003 0.0405 0.0405
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.1115 1
Brugia malayi protein-tyrosine kinase 0.003 0.0417 0.0417
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.003 0.0405 0.0405
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.1115 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0959 0.8598
Loa Loa (eye worm) TK protein kinase 0.0027 0.0354 0.0354
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0034 0.0479 0.0479
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0046 0.071 0.6368
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0067 0.1115 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0539 1 1
Loa Loa (eye worm) SRC-1 0.0034 0.0479 0.0479

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 50 % Analgesic activity in Mus musculus Swiss albino (mouse) assessed as protection against acetic acid-induced writhing at 100 mg/kg, po administered 1 hr prior challenge measured after 5 min of challenge for 20 min ChEMBL. No reference
IZ (functional) = 21 mm Antimicrobial activity against Candida albicans at 40 ug/ml after 72 hr by agar well diffusion method ChEMBL. No reference
MIC (functional) = 30 ug/uL Antimicrobial activity against Candida albicans after 24 hr by micro dilution method 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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