Detailed information for compound 284549

Basic information

Technical information
  • TDR Targets ID: 284549
  • Name: 2-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methox y]-2-methylpropanoic acid
  • MW: 294.734 | Formula: C14H15ClN2O3
  • H donors: 2 H acceptors: 3 LogP: 2.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1[nH]nc(c1)COC(C(=O)O)(C)C
  • InChi: 1S/C14H15ClN2O3/c1-14(2,13(18)19)20-8-11-7-12(17-16-11)9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
  • InChiKey: RYMOZXBGMLWEAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methoxy]-2-methyl-propanoic acid
  • 2-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methoxy]-2-methyl-propionic acid
  • 2-[[5-(4-chlorophenyl)-2H-pyrazol-3-yl]methoxy]-2-methylpropanoic acid
  • 2-[[5-(4-chlorophenyl)-2H-pyrazol-3-yl]methoxy]-2-methyl-propanoic acid
  • 2-[[5-(4-chlorophenyl)-2H-pyrazol-3-yl]methoxy]-2-methyl-propionic acid

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
Giardia lamblia MRP-like ABC transporter 0.0068 0.2916 1
Brugia malayi intermediate filament protein 0.0028 0.0373 0.1278
Loa Loa (eye worm) hypothetical protein 0.0028 0.0339 0.0339
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.2839 0.9736
Brugia malayi ABC transporter family protein 0.0045 0.1463 0.5018
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0045 0.1463 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0045 0.1463 1
Loa Loa (eye worm) ABC transporter 0.0023 0.0053 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2839 0.9736
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.0053 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0068 0.2916 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0045 0.1463 0.5005
Onchocerca volvulus 0.0045 0.1463 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0023 0.0053 0.5
Trichomonas vaginalis taga, putative 0.0045 0.1463 1
Echinococcus granulosus multidrug resistance protein 1 0.0045 0.1463 0.5018
Entamoeba histolytica ATP-binding cassette protein, putative 0.0068 0.2916 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0045 0.1463 0.5018
Trichomonas vaginalis ABC transporter, putative 0.0045 0.1463 1
Echinococcus granulosus multidrug resistance associated protein 4 0.0044 0.1408 0.4828
Trypanosoma cruzi multidrug resistance protein E, putative 0.0068 0.2916 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0045 0.1463 0.5005
Entamoeba histolytica P-glycoprotein-5 0.0045 0.1463 0.5018
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2839 0.9736
Echinococcus multilocularis tar DNA binding protein 0.0067 0.2839 0.9735
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0053 0.0154
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0045 0.1463 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2839 0.9736
Brugia malayi TAR-binding protein 0.0067 0.2839 0.9736
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0045 0.1463 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0373 0.1278
Giardia lamblia Multidrug resistance-associated protein 1 0.0068 0.2916 1
Schistosoma mansoni lamin 0.0028 0.0373 0.1278
Giardia lamblia ABC transporter, putative 0.0068 0.2916 1
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0008 0.0026
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0045 0.1463 1
Echinococcus multilocularis multidrug resistance associated protein 4 0.0044 0.1408 0.4815
Entamoeba histolytica P-glycoprotein-2, putative 0.0045 0.1463 0.5018
Giardia lamblia Multidrug resistance-associated protein 1 0.0068 0.2916 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0068 0.2916 1
Schistosoma mansoni multidrug resistance protein 0.0023 0.0053 0.018
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0045 0.1463 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.0053 0.5
Echinococcus multilocularis multidrug resistance protein 1 0.0045 0.1463 0.5005
Entamoeba histolytica ABC transporter, putative 0.0068 0.2916 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0023 0.0053 0.5
Schistosoma mansoni intermediate filament proteins 0.0028 0.0373 0.1278
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0053 0.0359
Entamoeba histolytica multidrug resistance protein, putative 0.0068 0.2916 1
Brugia malayi ABC transporter family protein 0.0023 0.0053 0.018
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0023 0.0053 0.5
Trichomonas vaginalis ABC transporter, putative 0.0045 0.1463 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0045 0.1463 1
Toxoplasma gondii hypothetical protein 0.0177 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0045 0.1463 0.5018
Trichomonas vaginalis abcb9, putative 0.0045 0.1463 1
Leishmania major pentamidine resistance protein 1 0.0068 0.2916 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0045 0.1463 1
Brugia malayi multidrug resistance related protein 1 0.0068 0.2916 1
Trypanosoma cruzi hypothetical protein 0.0044 0.1408 0.4733
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0068 0.2916 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.2839 0.2839
Trypanosoma brucei multidrug resistance protein E 0.0068 0.2916 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0023 0.0053 0.5
Trichomonas vaginalis abcb9, putative 0.0045 0.1463 1
Entamoeba histolytica P-glycoprotein-2 0.0045 0.1463 0.5018
Trypanosoma brucei p-glycoprotein 0.0068 0.2916 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0373 0.0373
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0053 0.0154
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0068 0.2916 1
Schistosoma mansoni multidrug resistance protein 0.0068 0.2916 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0045 0.1463 0.5018
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0045 0.1463 0.1463
Loa Loa (eye worm) RNA binding protein 0.0067 0.2839 0.2839
Brugia malayi hypothetical protein 0.0023 0.0053 0.018
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0045 0.1463 0.5005
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0023 0.0053 0.018
Echinococcus multilocularis musashi 0.0028 0.0373 0.1255
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0045 0.1463 0.1418
Entamoeba histolytica ATP-binding cassette protein, putative 0.0068 0.2916 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0045 0.1463 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2839 0.9736
Echinococcus multilocularis 0.0023 0.0053 0.0154
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0068 0.2916 1
Entamoeba histolytica P-glycoprotein-2 0.0045 0.1463 0.5018
Brugia malayi ABC transporter family protein 0.0023 0.0053 0.018
Plasmodium vivax multidrug resistance protein 1, putative 0.0045 0.1463 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.141 0.141
Echinococcus multilocularis multidrug resistance associated protein 1 0.0068 0.2916 1
Schistosoma mansoni multidrug resistance protein 0.0045 0.1463 0.5018
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0045 0.1463 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0373 0.1278
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0045 0.1463 0.5
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0023 0.0053 0.018
Echinococcus multilocularis lamin 0.0028 0.0373 0.1255
Entamoeba histolytica ATP-binding cassette protein, putative 0.0068 0.2916 1
Brugia malayi ABC transporter family protein 0.0023 0.0053 0.018
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0068 0.2916 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0053 0.0154
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0045 0.1463 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0023 0.0053 0.018
Loa Loa (eye worm) hypothetical protein 0.0045 0.1463 0.1463
Brugia malayi Cytochrome P450 family protein 0.0031 0.0558 0.1913
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0045 0.1463 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0068 0.2916 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.0053 0.5
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0008 0.0026
Echinococcus granulosus multidrug resistance protein 1 0.0045 0.1463 0.5018
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2839 0.9736
Trichomonas vaginalis ABC transporter, putative 0.0045 0.1463 1
Brugia malayi RNA binding protein 0.0067 0.2839 0.9736
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0045 0.1463 0.5005
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0068 0.2916 0.2878
Brugia malayi P-glycoprotein-like protein 0.0023 0.0053 0.018
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0045 0.1463 0.1418
Loa Loa (eye worm) ABC transporter 0.0023 0.0053 0.0053
Echinococcus granulosus multidrug resistance associated protein 1 0.0068 0.2916 1
Schistosoma mansoni multidrug resistance protein 0.0068 0.2916 1
Schistosoma mansoni smdr1 0.0023 0.0053 0.018
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0045 0.1463 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.2916 0.2916
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0053 0.0154
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0045 0.1463 0.5018
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0023 0.0053 0.5
Echinococcus granulosus tar DNA binding protein 0.0067 0.2839 0.9736
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0045 0.1463 1
Brugia malayi multidrug resistance protein 3 0.0045 0.1463 0.5018
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0045 0.1463 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0045 0.1463 1
Leishmania major ABC-thiol transporter 0.0068 0.2916 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1463 0.1463
Echinococcus granulosus multidrug resistance protein 1 0.0045 0.1463 0.5018
Schistosoma mansoni multidrug resistance protein 0.0045 0.1463 0.5018
Loa Loa (eye worm) multidrug resistance protein 3 0.0045 0.1463 0.1463
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0044 0.141 0.4837
Echinococcus granulosus lamin dm0 0.0028 0.0373 0.1278
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0053
Echinococcus granulosus ATP binding cassette sub family B 0.0023 0.0053 0.018
Echinococcus granulosus multidrug resistance associated protein 7 0.0068 0.2916 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0045 0.1463 1
Loa Loa (eye worm) multidrug resistance-associated protein 0.0045 0.146 0.146
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0023 0.0053 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0045 0.1463 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0023 0.0053 0.018
Schistosoma mansoni multidrug resistance protein 0.0068 0.2916 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0044 0.141 0.4824
Echinococcus multilocularis lamin dm0 0.0028 0.0373 0.1255
Schistosoma mansoni smdr2 0.0045 0.1463 0.5018
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0045 0.1463 0.5005
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0373 0.0373
Brugia malayi ABC transporter 0.0023 0.0053 0.018
Entamoeba histolytica hypothetical protein 0.0068 0.2916 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0045 0.1463 1
Leishmania major p-glycoprotein 0.0045 0.1463 0.4926
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0045 0.1463 1
Loa Loa (eye worm) hypothetical protein 0.0177 1 1
Leishmania major p-glycoprotein e 0.0068 0.2916 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0068 0.2916 1
Brugia malayi ABC transporter transmembrane region family protein 0.0023 0.0053 0.018
Brugia malayi ABC transporter transmembrane region family protein 0.0068 0.2916 1
Schistosoma mansoni lamin 0.0028 0.0373 0.1278
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0045 0.1463 0.4926
Loa Loa (eye worm) hypothetical protein 0.0068 0.2916 0.2916
Echinococcus granulosus lamin 0.0028 0.0373 0.1278
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0008 0.0053
Giardia lamblia Multidrug resistance-associated protein 1 0.0067 0.2863 0.982
Schistosoma mansoni multidrug resistance protein 0.0045 0.1463 0.5018
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0068 0.2916 1
Plasmodium falciparum multidrug resistance protein 1 0.0045 0.1463 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0373 0.0373
Loa Loa (eye worm) hypothetical protein 0.0067 0.2863 0.2863
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0045 0.1463 1
Echinococcus multilocularis multidrug resistance protein 1 0.0045 0.1463 0.5005
Echinococcus granulosus ATP binding cassette sub family B 0.0023 0.0053 0.018
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0045 0.1463 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0068 0.2916 1
Trichomonas vaginalis abcb9, putative 0.0045 0.1463 1
Schistosoma mansoni multidrug resistance protein 0.0068 0.2916 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0068 0.2916 0.2916
Loa Loa (eye worm) TAR-binding protein 0.0067 0.2839 0.2839
Entamoeba histolytica P-glycoprotein-1 0.0045 0.1463 0.5018
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0177 1 1
Trichomonas vaginalis ABC transporter, putative 0.0045 0.1463 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0045 0.1463 0.5018
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0177 1 1
Loa Loa (eye worm) ABC transporter 0.0023 0.0053 0.0053
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0045 0.1463 1
Entamoeba histolytica P-glyco protein 6, putative 0.0045 0.1463 0.5018

Activities

Activity type Activity value Assay description Source Reference
Decrease (functional) NA 0 % Percent decrease in serum haptoglobin evaluated in a developing adjuvant arthritis model rats; No significant effect ChEMBL. 1995900
Inhibition (functional) NA 0 % Compound was evaluated in developing adjuvant arthritis model rats for its effect on paw edema; No significant effect ChEMBL. 1995900
logP (ADMET) = 0.36 Partition coefficient (logP) ChEMBL. 1995900

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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