Detailed information for compound 804471

Basic information

Technical information
  • TDR Targets ID: 804471
  • Name: 2-chloro-5-[(4Z)-4-[(4-diethylaminophenyl)met hylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
  • MW: 411.881 | Formula: C22H22ClN3O3
  • H donors: 1 H acceptors: 3 LogP: 4.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)CC
  • InChi: 1S/C22H22ClN3O3/c1-4-25(5-2)16-8-6-15(7-9-16)12-18-14(3)24-26(21(18)27)17-10-11-20(23)19(13-17)22(28)29/h6-13H,4-5H2,1-3H3,(H,28,29)/b18-12-
  • InChiKey: NJEMJYKEOFGEEM-PDGQHHTCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-chloro-5-[(4Z)-4-[(4-diethylaminophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid
  • 2-chloro-5-[(4Z)-4-[(4-diethylaminophenyl)methylene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
  • 2-chloro-5-[(4Z)-4-(4-diethylaminobenzylidene)-5-keto-3-methyl-pyrazol-1-yl]benzoic acid
  • 2-chloro-5-[(4Z)-4-[(4-diethylaminophenyl)methylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid
  • A1970/0082822

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
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0074 0.0074
Loa Loa (eye worm) glutathione reductase 0.0054 0.0192 0.0192
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.026 0.1559 0.1559
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0074 0.0074
Plasmodium vivax amine transporter, putative 0.026 0.1559 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0038 0.0038
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1533 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0165 0.0926 0.0926
Toxoplasma gondii hypothetical protein 0.026 0.1559 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.026 0.1559 0.1559
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0192 0.0192
Echinococcus granulosus geminin 0.0172 0.0971 0.0971
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.0744 1
Schistosoma mansoni hypothetical protein 0.0172 0.0971 0.0971
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.0659 1
Plasmodium falciparum thioredoxin reductase 0.0054 0.0192 0.0907
Schistosoma mansoni sodium-dependent amino acid transporter 0.026 0.1559 0.1559
Loa Loa (eye worm) hypothetical protein 0.0364 0.2245 0.2245
Schistosoma mansoni hypothetical protein 0.0036 0.0074 0.0074
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.026 0.1559 0.1559
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0192 0.0192
Leishmania major ATP-dependent phosphofructokinase 0.0125 0.0659 1
Mycobacterium tuberculosis Probable reductase 0.0124 0.0653 0.8342
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.026 0.1559 1
Echinococcus multilocularis lamin dm0 0.0031 0.0038 0.0038
Plasmodium vivax glutathione reductase, putative 0.0054 0.0192 0.0907
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.0659 1
Plasmodium falciparum amino acid transporter, putative 0.026 0.1559 1
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0192 0.0907
Brugia malayi Sodium:neurotransmitter symporter family protein 0.026 0.1559 0.1559
Brugia malayi hypothetical protein 0.014 0.0758 0.0758
Schistosoma mansoni 6-phosphofructokinase 0.0125 0.0659 0.0659
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.0659 1
Echinococcus granulosus intermediate filament protein 0.0031 0.0038 0.0038
Entamoeba histolytica hypothetical protein 0.0036 0.0074 0.0307
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.0744 1
Loa Loa (eye worm) hypothetical protein 0.026 0.1559 0.1559
Loa Loa (eye worm) hypothetical protein 0.026 0.1559 0.1559
Echinococcus multilocularis serotonin transporter 0.1533 1 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.026 0.1559 0.1559
Loa Loa (eye worm) hypothetical protein 0.026 0.1559 0.1559
Brugia malayi hypothetical protein 0.026 0.1559 0.1559
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.026 0.1559 0.1559
Schistosoma mansoni hypothetical protein 0.0172 0.0971 0.0971
Echinococcus granulosus sodium and chloride dependent glycine 0.026 0.1559 0.1559
Toxoplasma gondii hypothetical protein 0.026 0.1559 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.026 0.1559 0.1559
Loa Loa (eye worm) 6-phosphofructokinase 0.0125 0.0659 0.0659
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0125 0.0659 0.8458
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0125 0.0659 0.0695
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0125 0.0659 1
Loa Loa (eye worm) norepinephrine transporter 0.1533 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.026 0.1559 1
Entamoeba histolytica hypothetical protein 0.0036 0.0074 0.0307
Brugia malayi Sodium:neurotransmitter symporter family protein 0.026 0.1559 0.1559
Echinococcus multilocularis geminin 0.0172 0.0971 0.0971
Onchocerca volvulus 0.026 0.1559 0.1559
Echinococcus granulosus lamin dm0 0.0031 0.0038 0.0038
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.026 0.1559 0.1559
Loa Loa (eye worm) hypothetical protein 0.1533 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0038 0.0038
Echinococcus multilocularis lamin 0.0031 0.0038 0.0038
Brugia malayi 6-phosphofructokinase 0.0125 0.0659 0.0659
Echinococcus granulosus 6 phosphofructokinase 0.0125 0.0659 0.0659
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.026 0.1559 1
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.0659 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.026 0.1559 0.1559
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.026 0.1559 0.1559
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.026 0.1559 0.1559
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0034 0.0056 0.5
Echinococcus granulosus lamin 0.0031 0.0038 0.0038
Onchocerca volvulus 0.0031 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.026 0.1559 0.1559
Loa Loa (eye worm) hypothetical protein 0.0165 0.0926 0.0926
Echinococcus multilocularis serotonin receptor 0.0165 0.0926 0.0926
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0038 0.0038
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.026 0.1559 0.1559
Loa Loa (eye worm) serotonin transporter b 0.1533 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0038 0.0038
Mycobacterium ulcerans 6-phosphofructokinase 0.0125 0.0659 0.5
Plasmodium falciparum transporter, putative 0.026 0.1559 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.0744 1
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.0659 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0125 0.0659 0.0659
Entamoeba histolytica hypothetical protein 0.0036 0.0074 0.0307
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0074 0.0074
Brugia malayi glutathione reductase 0.0054 0.0192 0.0192
Brugia malayi intermediate filament protein 0.0031 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0165 0.0926 0.0926
Schistosoma mansoni 6-phosphofructokinase 0.0125 0.0659 0.0659
Onchocerca volvulus 0.026 0.1559 0.1559
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0125 0.0659 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.026 0.1559 0.1559
Echinococcus multilocularis sodium and chloride dependent glycine 0.026 0.1559 0.1559
Onchocerca volvulus 0.0031 0.0038 0.0038
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0192 0.0192
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.026 0.1559 0.1559
Echinococcus granulosus serotonin transporter 0.1533 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.0659 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.1533 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0165 0.0926 0.0926
Brugia malayi phosphofructokinase 0.0125 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.1533 1 1
Loa Loa (eye worm) hypothetical protein 0.026 0.1559 0.1559
Onchocerca volvulus 0.026 0.1559 0.1559
Brugia malayi Thioredoxin reductase 0.0054 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.026 0.1559 0.1559
Loa Loa (eye worm) hypothetical protein 0.1533 1 1
Loa Loa (eye worm) phosphofructokinase 0.0125 0.0659 0.0659
Echinococcus multilocularis musashi 0.0031 0.0038 0.0038
Toxoplasma gondii thioredoxin reductase 0.0054 0.0192 0.0907
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.026 0.1559 0.1559
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.0659 1
Plasmodium falciparum glutathione reductase 0.0054 0.0192 0.0907
Echinococcus granulosus uncharacterized sodium dependent transporter 0.026 0.1559 0.1559
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0124 0.0653 0.8342
Schistosoma mansoni sodium/chloride dependent transporter 0.1533 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.026 0.1559 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.026 0.1559 0.1559
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.026 0.1559 0.1559
Echinococcus granulosus sodium and chloride dependent glycine 0.026 0.1559 0.1559
Echinococcus multilocularis 6 phosphofructokinase 0.0125 0.0659 0.0659
Schistosoma mansoni sodium/chloride dependent transporter 0.026 0.1559 0.1559
Onchocerca volvulus 0.1533 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.026 0.1559 0.1559
Brugia malayi hypothetical protein 0.0036 0.0074 0.0074
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0124 0.0653 0.8342
Echinococcus multilocularis serotonin receptor 0.0165 0.0926 0.0926
Mycobacterium tuberculosis Probable dehydrogenase 0.0124 0.0653 0.8342
Loa Loa (eye worm) hypothetical protein 0.0031 0.0038 0.0038
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.026 0.1559 0.1559
Plasmodium vivax hypothetical protein, conserved 0.026 0.1559 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.026 0.1559 0.1559
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.0744 1
Treponema pallidum sodium- and chloride- dependent transporter 0.1533 1 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0125 0.0659 0.0607
Brugia malayi 6-phosphofructokinase 0.0125 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.026 0.1559 0.1559
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.026 0.1559 0.1559
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0124 0.0653 0.8342
Schistosoma mansoni lamin 0.0031 0.0038 0.0038
Entamoeba histolytica hypothetical protein 0.0036 0.0074 0.0307
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0124 0.0653 0.8342
Schistosoma mansoni lamin 0.0031 0.0038 0.0038

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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