Detailed information for compound 1726889

Basic information

Technical information
  • TDR Targets ID: 1726889
  • Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyraz ol-1-yl]-1-[4-(4-chlorophenyl)piperazin-1-yl] ethanone
  • MW: 421.244 | Formula: C17H17Cl2F3N4O
  • H donors: 0 H acceptors: 2 LogP: 4.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1CCN(CC1)C(=O)Cn1nc(c(c1C)Cl)C(F)(F)F
  • InChi: 1S/C17H17Cl2F3N4O/c1-11-15(19)16(17(20,21)22)23-26(11)10-14(27)25-8-6-24(7-9-25)13-4-2-12(18)3-5-13/h2-5H,6-10H2,1H3
  • InChiKey: PLVKJOZLUYCUSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-[4-(4-chlorophenyl)-1-piperazinyl]ethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 1 Starlite/ChEMBL 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
Brugia malayi hypothetical protein chemokine (C-C motif) receptor 1 355 aa 289 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cGMP dependent protein kinase 1 0.0026 0.0403 0.0364
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0038 0.1045 0.0977
Trypanosoma cruzi cAMP response protein 1, putative 0.0026 0.0386 0.0764
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0026 0.0386 0.0313
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.4145 0.4519
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0026 0.0386 0.0345
Mycobacterium ulcerans transmembrane transport protein 0.0026 0.0386 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0038 0.1045 0.1077
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0026 0.0386 0.0932
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.1045 0.0977
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0386 0.0373
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0026 0.0403 1
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0026 0.0386 0.0345
Trypanosoma brucei cAMP response protein 1, putative 0.0026 0.0386 0.0932
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0056 0.1965 0.2099
Leishmania major hypothetical protein, unknown function 0.0026 0.0386 0.0764
Mycobacterium ulcerans hypothetical protein 0.0026 0.0386 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.4145 0.4519
Leishmania major regulatory subunit of protein kinase a-like protein 0.0026 0.0386 0.0764
Loa Loa (eye worm) AGC/PKG protein kinase 0.0026 0.0403 0.0364
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0026 0.0386 0.0345
Loa Loa (eye worm) hypothetical protein 0.0038 0.1045 0.1077
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0026 0.0386 0.0313
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.4145 0.4876
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.1579 0.1802
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0075 0.0181
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0026 0.0386 0.0345
Plasmodium falciparum cGMP-dependent protein kinase 0.0026 0.0403 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0038 0.1045 0.1077
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0026 0.0386 0.0373
Echinococcus granulosus cGMP dependent protein kinase 0.0026 0.0403 0.0364
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.1045 0.1162
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.1045 0.0977
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0026 0.0386 0.0373
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0026 0.0386 0.0313
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0026 0.0386 1
Mycobacterium leprae Conserved hypothetical protein 0.0026 0.0386 0.5
Treponema pallidum catabolite gene activator 0.0026 0.0386 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0194 0.908 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0026 0.0386 0.9495
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0026 0.0386 0.9495
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.4145 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0026 0.0386 0.0345
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.1579 0.1802
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0026 0.0386 0.0932
Trypanosoma brucei polo-like protein kinase 0.0098 0.4145 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.1965 0.2099
Treponema pallidum cyclic nucleotide binding protein 0.0026 0.0386 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0056 0.1965 0.2099
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0026 0.0386 1
Treponema pallidum catabolite gene activator (Crp) 0.0026 0.0386 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0056 0.1965 0.2099
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0038 0.1045 0.1077
Leishmania major hypothetical protein, conserved 0.0026 0.0386 0.0764
Mycobacterium ulcerans hypothetical protein 0.0026 0.0386 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.7757 0.8531
Echinococcus granulosus hyperpolarization activated cyclic 0.0038 0.1045 0.1077
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.4145 0.4519
Trypanosoma cruzi cyclic nucleotide-binding domain containing protein, putative 0.0026 0.0386 0.0764
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0026 0.0386 0.0764
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.4145 0.4876
Leishmania major protein kinase A regulatory subunit, putative 0.0026 0.0386 0.0764
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0026 0.0386 0.0345
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0038 0.1045 0.1077
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0386 0.0313
Mycobacterium ulcerans hypothetical protein 0.0026 0.0386 1
Echinococcus granulosus patatin phospholipase domain containing protein 0.0026 0.0386 0.0345
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0026 0.0386 0.0345
Echinococcus granulosus voltage gated potassium channel 0.0056 0.1965 0.2099
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.0026 0.0386 0.9495
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.4145 0.41
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.1045 0.1162
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0026 0.0386 0.0764
Leishmania major protein kinase, putative 0.0026 0.0403 0.0805
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0026 0.0386 0.0313
Trypanosoma cruzi protein kinase A regulatory subunit 0.0026 0.0386 0.0764
Brugia malayi Egg laying defective protein 4 0.0026 0.0403 0.0364
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0038 0.1045 0.1077
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0075 0.5
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0038 0.1045 0.1077
Mycobacterium tuberculosis Conserved protein 0.0026 0.0386 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0386 0.0345
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0181 0.8421 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0026 0.0386 0.9495
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.0026 0.0386 0.0373
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0026 0.0386 1
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0026 0.0386 0.9495
Mycobacterium tuberculosis Conserved hypothetical protein 0.0026 0.0386 1
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0403 0.033
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0038 0.1045 0.1077
Schistosoma mansoni kinase 0.005 0.1646 0.1583
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.1965 0.1905
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0026 0.0386 0.9495
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0026 0.0386 0.0345
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0181 0.8421 1
Brugia malayi N-terminal motif family protein 0.0026 0.0386 0.0345
Echinococcus multilocularis hyperpolarization activated cyclic 0.0038 0.1045 0.1077
Mycobacterium ulcerans hypothetical protein 0.0026 0.0386 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.4145 0.4519
Leishmania major protein kinase, putative 0.0026 0.0403 0.0805
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0026 0.0386 1
Schistosoma mansoni voltage-gated potassium channel 0.0038 0.1045 0.0977
Echinococcus multilocularis expressed conserved protein 0.0026 0.0403 0.0364
Trypanosoma cruzi cAMP response protein 1 0.0026 0.0386 0.0764
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.0026 0.0386 0.0373
Echinococcus multilocularis voltage gated potassium channel 0.0056 0.1965 0.2099
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0026 0.0386 0.0313
Trypanosoma brucei protein kinase A regulatory subunit 0.0026 0.0386 0.0932
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.1045 0.0977
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0026 0.0386 0.0345
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.4145 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.4145 0.4876
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0026 0.0403 0.0364
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0403 0.033
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0026 0.0386 0.0345
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.4145 0.4876
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0026 0.0386 0.0313
Treponema pallidum cyclic nucleotide binding protein 0.0026 0.0386 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0038 0.1045 0.1077
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0386 0.0764
Mycobacterium tuberculosis Conserved hypothetical protein 0.0026 0.0386 1
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0026 0.0403 0.0364
Leishmania major hypothetical protein, conserved 0.0026 0.0386 0.0764
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0026 0.0386 0.0764
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0026 0.0386 0.0345
Schistosoma mansoni 60S ribosomal protein L21 0.0031 0.0643 0.0572
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0194 0.908 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0386 0.0345
Echinococcus granulosus cGMP dependent protein kinase 1 0.0026 0.0403 0.0364
Giardia lamblia Kinase, PLK 0.0098 0.4145 1
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0026 0.0386 0.0313
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.4145 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0026 0.0386 0.0345
Leishmania major hypothetical protein, conserved 0.0026 0.0386 0.0764
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0026 0.0386 0.5
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0026 0.0386 0.0313
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0026 0.0386 0.0313
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0038 0.1045 0.1077
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0026 0.0386 0.0313
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0038 0.1045 0.0977
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.4145 0.4876
Trypanosoma cruzi cAMP binding protein, putative 0.0026 0.0386 0.0764
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.1965 0.1905
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.4145 1
Mycobacterium ulcerans transcriptional regulatory protein 0.0026 0.0386 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0038 0.1045 0.1077
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.4145 0.4876
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.4145 1
Leishmania major cyclic nucleotide-binding protein-like protein 0.0026 0.0386 0.0764
Mycobacterium ulcerans regulatory protein 0.0026 0.0386 1
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0403 0.033
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0643 0.0572
Trypanosoma brucei Flagellar Member 6 0.0026 0.0386 0.0932
Schistosoma mansoni hypothetical protein 0.0026 0.0386 0.0313
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0038 0.1045 0.1077
Trypanosoma cruzi Flagellar Member 6 0.0026 0.0386 0.0764
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.4145 0.4876
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0026 0.0386 0.0345
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0026 0.0386 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0194 0.908 1
Trypanosoma brucei cAMP binding protein, putative 0.0026 0.0386 0.0932
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0026 0.0386 0.0313
Brugia malayi Cyclic-nucleotide gated cation channel 0.0038 0.1045 0.1077
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0026 0.0386 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0194 0.908 1
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0026 0.0386 0.0345

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 98 nM Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells ChEMBL. 23374868

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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