Detailed information for compound 1806363

Basic information

Technical information
  • TDR Targets ID: 1806363
  • Name: 4-chloro-1-(2-chloro-4-fluoro-5-prop-2-ynoxyp henyl)-3,5-dimethylpyrazole
  • MW: 313.154 | Formula: C14H11Cl2FN2O
  • H donors: 0 H acceptors: 1 LogP: 4.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCOc1cc(c(cc1F)Cl)n1nc(c(c1C)Cl)C
  • InChi: 1S/C14H11Cl2FN2O/c1-4-5-20-13-7-12(10(15)6-11(13)17)19-9(3)14(16)8(2)18-19/h1,6-7H,5H2,2-3H3
  • InChiKey: DAEITKPIJAKLQY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-1-(2-chloro-4-fluoro-5-prop-2-ynoxy-phenyl)-3,5-dimethyl-pyrazole
  • 4-chloro-1-(2-chloro-4-fluoro-5-propargyloxy-phenyl)-3,5-dimethyl-pyrazole
  • 106123-54-0

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
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4431 0.57
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.003 0.421 0.4093
Entamoeba histolytica P-glycoprotein 6, putative 0.0017 0.0198 0.0198
Brugia malayi ABC transporter family protein 0.0017 0.0198 0.0198
Echinococcus multilocularis multidrug resistance associated protein 7 0.003 0.421 0.4093
Echinococcus granulosus multidrug resistance protein 1 0.0031 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.003 0.421 0.421
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0047 1 1
Brugia malayi ABC transporter family protein 0.0047 1 1
Brugia malayi P-glycoprotein-like protein 0.0017 0.0198 0.0198
Schistosoma mansoni multidrug resistance protein 0.0047 1 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.004 0.7623 0.7575
Entamoeba histolytica ATP-binding cassette protein, putative 0.003 0.421 0.421
Trypanosoma brucei multidrug resistance-associated protein, putative 0.003 0.421 0.5403
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Schistosoma mansoni smdr1 0.0017 0.0198 0.0198
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0047 0.9802 0.9802
Schistosoma mansoni multidrug resistance protein 0.003 0.421 0.421
Echinococcus granulosus multidrug resistance protein 1 0.0047 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0047 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0017 0.0198 0.0198
Schistosoma mansoni multidrug resistance protein 0.003 0.421 0.421
Brugia malayi multidrug resistance related protein 1 0.003 0.421 0.421
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Trypanosoma brucei multidrug resistance protein E 0.003 0.421 0.5403
Entamoeba histolytica P-glycoprotein-2 0.0047 1 1
Trypanosoma brucei trans-sialidase 0.003 0.4432 0.5702
Schistosoma mansoni smdr2 0.0047 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.004 0.7623 0.7623
Schistosoma mansoni multidrug resistance protein 0.0047 1 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.004 0.7623 0.7575
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0017 0.0198 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 1 1
Trypanosoma brucei trans-sialidase, putative 0.003 0.4432 0.5702
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.003 0.421 0.4093
Trypanosoma brucei multidrug resistance-associated protein, putative 0.003 0.421 0.5403
Giardia lamblia ABC transporter, putative 0.003 0.421 1
Leishmania major p-glycoprotein 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Entamoeba histolytica ABC transporter, putative 0.003 0.421 0.421
Brugia malayi ABC transporter 0.0017 0.0198 0.0198
Trichomonas vaginalis ABC transporter, putative 0.0047 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.003 0.421 0.421
Entamoeba histolytica ATP-binding cassette protein, putative 0.003 0.421 0.421
Entamoeba histolytica P-glycoprotein-5 0.0047 1 1
Brugia malayi hypothetical protein 0.0017 0.0198 0.0198
Brugia malayi ABC transporter transmembrane region family protein 0.003 0.421 0.421
Loa Loa (eye worm) ABC transporter 0.0017 0.0198 0.0198
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.004 0.7623 0.7623
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0017 0.0198 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.003 0.421 0.4093
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.004 0.7623 0.7623
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0047 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.003 0.421 0.5403
Echinococcus multilocularis multidrug resistance protein 1 0.0047 1 1
Brugia malayi ABC transporter family protein 0.0017 0.0198 0.0198
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0017 0.0198 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0047 1 1
Trichomonas vaginalis abcb9, putative 0.0047 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0017 0.0198 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0047 1 1
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4431 0.57
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0047 1 1
Entamoeba histolytica multidrug resistance protein, putative 0.003 0.421 0.421
Loa Loa (eye worm) hypothetical protein 0.0047 0.9802 0.9802
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0017 0.0198 0.0198
Trypanosoma brucei trans-sialidase, putative 0.003 0.4432 0.5702
Trypanosoma brucei ubiquitin-protein ligase, putative 0.004 0.7623 1
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4431 0.57
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.004 0.7623 0.7623
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Trichomonas vaginalis abcb9, putative 0.0047 1 1
Loa Loa (eye worm) ABC transporter 0.0017 0.0198 0.0198
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0017 0.0198 0.5
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.004 0.7623 1
Echinococcus multilocularis multidrug resistance protein 1 0.0047 1 1
Leishmania major ABC-thiol transporter 0.003 0.421 0.4093
Echinococcus granulosus multidrug resistance associated protein 7 0.003 0.421 0.421
Echinococcus granulosus multidrug resistance protein 1 0.0047 1 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.003 0.421 0.421
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0047 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0047 1 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0047 1 0.5
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4431 0.57
Loa Loa (eye worm) hypothetical protein 0.0017 0.0198 0.0198
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.004 0.7623 0.7575
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0047 1 1
Trypanosoma brucei p-glycoprotein 0.003 0.421 0.5403
Trichomonas vaginalis abcb9, putative 0.0047 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 1 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.003 0.421 0.5403
Trichomonas vaginalis ABC transporter, putative 0.0047 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.003 0.421 0.421
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0047 1 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0017 0.0198 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.003 0.421 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0047 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.004 0.7623 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.0198 0.0198
Leishmania major p-glycoprotein e 0.003 0.421 0.4093
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.004 0.7623 0.7575
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0017 0.0198 0.0198
Schistosoma mansoni multidrug resistance protein 0.0017 0.0198 0.0198
Entamoeba histolytica P-glycoprotein-1 0.0047 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0017 0.0198 0.0198
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.4522 0.4522
Echinococcus granulosus multidrug resistance protein 1 0.0031 0.4522 0.4522
Leishmania major pentamidine resistance protein 1 0.003 0.421 0.4093
Trichomonas vaginalis taga, putative 0.0047 1 1
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4432 0.5702
Trypanosoma brucei trans-sialidase, putative 0.003 0.4432 0.5702
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4432 0.5702
Loa Loa (eye worm) hypothetical protein 0.0029 0.4012 0.4012
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.004 0.7623 0.7623
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0047 1 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.003 0.421 0.5403
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0047 0.9802 0.9798
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.003 0.421 0.4093
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Giardia lamblia Multidrug resistance-associated protein 1 0.003 0.421 1
Echinococcus granulosus multidrug resistance protein 1 0.0047 1 1
Loa Loa (eye worm) ABC transporter 0.0017 0.0198 0.0198
Echinococcus multilocularis multidrug resistance associated protein 1 0.003 0.421 0.4093
Plasmodium falciparum multidrug resistance protein 1 0.0047 1 1
Brugia malayi ABC transporter family protein 0.0017 0.0198 0.0198
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Schistosoma mansoni multidrug resistance protein 0.0047 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Brugia malayi ubiquitin conjugating enzyme protein 13 0.004 0.7623 0.7623
Trypanosoma brucei trans-sialidase, putative 0.003 0.4432 0.5702
Echinococcus multilocularis multidrug resistance protein 1 0.0031 0.4522 0.4411
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.004 0.7623 0.7575
Entamoeba histolytica ATP-binding cassette protein, putative 0.003 0.421 0.421
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4432 0.5702
Entamoeba histolytica P-glyco protein 6, putative 0.0047 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.421 0.421
Onchocerca volvulus 0.0047 1 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0017 0.0198 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0017 0.0198 0.5
Trypanosoma brucei trans-sialidase, putative 0.003 0.4432 0.5702
Giardia lamblia MRP-like ABC transporter 0.003 0.421 1
Schistosoma mansoni multidrug resistance protein 0.003 0.421 0.421
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.003 0.421 0.4093
Trichomonas vaginalis ABC transporter, putative 0.0047 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0017 0.0198 0.0198
Loa Loa (eye worm) multidrug resistance protein 3 0.0047 1 1
Entamoeba histolytica P-glycoprotein-2 0.0047 1 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0017 0.0198 0.0198
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.004 0.7623 0.7623
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4432 0.5702
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Trichomonas vaginalis ABC transporter, putative 0.0047 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0029 0.4012 0.953
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.004 0.7623 0.7623
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.004 0.7623 0.7623
Plasmodium vivax multidrug resistance protein 1, putative 0.0047 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0017 0.0198 0.5
Entamoeba histolytica hypothetical protein 0.003 0.421 0.421
Schistosoma mansoni multidrug resistance protein 0.003 0.421 0.421

Activities

No activities found for this compound.

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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