Detailed information for compound 874944

Basic information

Technical information
  • TDR Targets ID: 874944
  • Name: N-(2-dimethylaminoethyl)-1-(4-fluorophenyl)-3 -methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
  • MW: 355.409 | Formula: C19H22FN5O
  • H donors: 1 H acceptors: 2 LogP: 2.44 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNC(=O)c1c(C)nn(c1n1cccc1)c1ccc(cc1)F)C
  • InChi: 1S/C19H22FN5O/c1-14-17(18(26)21-10-13-23(2)3)19(24-11-4-5-12-24)25(22-14)16-8-6-15(20)7-9-16/h4-9,11-12H,10,13H2,1-3H3,(H,21,26)
  • InChiKey: MXXLIMABMMQLHT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-dimethylaminoethyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide
  • N-(2-dimethylaminoethyl)-1-(4-fluorophenyl)-3-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide

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
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0014 0.0053
Schistosoma mansoni cpg binding protein 0.0035 0.0193 0.0782
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0091 0.0368
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0148 0.4894
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0492
Trypanosoma brucei trypanothione reductase 0.0044 0.0259 1
Brugia malayi nuclear receptor NHR-88 0.0021 0.0091 0.0492
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0091 0.0368
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0053
Onchocerca volvulus 0.0021 0.0091 0.043
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0091 0.0492
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0091 0.0368
Brugia malayi hypothetical protein 0.0029 0.0148 0.0821
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0043 0.0216
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0091 0.0492
Brugia malayi Thioredoxin reductase 0.0044 0.0259 0.1452
Echinococcus granulosus thioredoxin glutathione reductase 0.0044 0.0263 0.1064
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0091 0.0368
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0091 0.0492
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0049 0.0197
Brugia malayi hypothetical protein 0.0011 0.0014 0.0053
Loa Loa (eye worm) hypothetical protein 0.0035 0.0194 0.1085
Onchocerca volvulus 0.0035 0.0194 0.0948
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0014 0.0057
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0091 0.0368
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0091 0.043
Brugia malayi CXXC zinc finger family protein 0.0033 0.0179 0.0997
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0091 0.0368
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0091 0.0368
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0014 0.0053
Plasmodium falciparum glutathione reductase 0.0044 0.0259 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0014 0.0057
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0091 0.0368
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0375 0.2767 0.2737
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1329 1 1
Schistosoma mansoni hypothetical protein 0.0336 0.2472 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.01 0.0682 0.0899
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0091 0.0368
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0091 0.0492
Schistosoma mansoni nuclear receptor 0.001 0.0005 0.002
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0091 0.0368
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0197
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0091 0.0492
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0005 0.002
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0309 0.1741
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0091 0.0368
Schistosoma mansoni hypothetical protein 0.0013 0.0027 0.0109
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0492
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0309 0.1741
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0053
Onchocerca volvulus 0.0274 0.2004 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0005 0.002
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0091 0.0368
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0148 0.4894
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0091 0.0492
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1329 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0091 0.0368
Schistosoma mansoni cpg binding protein 0.0033 0.0179 0.0724
Trichomonas vaginalis glutathione reductase, putative 0.0015 0.0043 0.0211
Leishmania major trypanothione reductase 0.0044 0.0259 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0189 0.1051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0091 0.0492
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0044 0.0259 0.0304
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.01 0.0682 0.0899
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0011 0.0012 0.0042
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0005 0.002
Schistosoma mansoni coup transcription factor 0.0021 0.0091 0.0368
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0053
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0091 0.0492
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0091 0.0492
Leishmania major hypothetical protein, conserved 0.0029 0.0148 0.4894
Mycobacterium tuberculosis Putative ferredoxin reductase 0.01 0.0682 0.0899
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0043 0.0172
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0005 0.002
Echinococcus granulosus cpg binding protein 0.0035 0.0193 0.0782
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0091 0.0492
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0015 0.0062
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0005 0.002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0091 0.0492
Brugia malayi steroid hormone receptor 0.0021 0.0091 0.0492
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0194 0.0786
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0005 0.002
Schistosoma mansoni zinc finger protein 0.001 0.0005 0.002
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0194 0.0786
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0091 0.0368
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.047 0.1901
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0179 0.0725
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0091 0.0492
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0005 0.002
Plasmodium vivax glutathione reductase, putative 0.0044 0.0259 1
Brugia malayi nuclear hormone receptor 0.0021 0.0091 0.0492
Toxoplasma gondii thioredoxin reductase 0.0044 0.0259 0.0934
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0197
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0091 0.0368
Schistosoma mansoni hypothetical protein 0.0034 0.0189 0.0763
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0049 0.0197
Schistosoma mansoni hypothetical protein 0.0336 0.2472 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0492
Brugia malayi Pre-SET motif family protein 0.0035 0.0194 0.1085
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0005 0.002
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0091 0.0492
Brugia malayi Pre-SET motif family protein 0.0241 0.1752 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0492
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0194 0.0786
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0111 0.0766 0.1017
Mycobacterium tuberculosis Probable reductase 0.01 0.0682 0.0899
Schistosoma mansoni cpg binding protein 0.0035 0.0193 0.0782
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0955 0.7161 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0049 0.025
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0091 0.0368
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0194 0.0786
Echinococcus multilocularis GPCR, family 2 0.0016 0.0049 0.0197
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0091 0.0368
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0091 0.0368
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0049 0.0197
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0005 0.002
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0375 0.2767 1
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0375 0.2767 0.3219
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0955 0.7161 1
Brugia malayi nuclear receptor RXR 0.0011 0.0014 0.0053
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0492
Brugia malayi hypothetical protein 0.0011 0.0014 0.0053
Trypanosoma cruzi trypanothione reductase, putative 0.0044 0.0259 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0091 0.0492
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0091 0.0368
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0015 0.0043 0.0153
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0005 0.002
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0043 0.0172
Echinococcus multilocularis geminin 0.0336 0.2472 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0091 0.0368
Plasmodium falciparum thioredoxin reductase 0.0044 0.0259 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0148 0.4894
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0091 0.0368
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0492
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0148 0.4894
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0194 0.0701
Onchocerca volvulus 0.0147 0.1042 0.5187
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0014 0.0057
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0091 0.0368
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0015 0.0062
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.01 0.0682 0.0899
Schistosoma mansoni nuclear hormone receptor 0.001 0.0005 0.002
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0413 0.1492
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0091 0.0368
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0111 0.0766 0.1017
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0015 0.006
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0148 0.4894
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0027 0.0109
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0111 0.0766 0.013
Brugia malayi glutathione reductase 0.0044 0.0259 0.1452
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0005 0.002
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0091 0.0368
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0189 0.1051
Loa Loa (eye worm) thioredoxin reductase 0.0044 0.0259 0.1452
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0091 0.0492
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0194 0.0786
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1329 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0091 0.0492
Schistosoma mansoni nuclear receptor 0.001 0.0005 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0091 0.0492
Echinococcus granulosus geminin 0.0336 0.2472 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0043 0.0172
Loa Loa (eye worm) glutathione reductase 0.0044 0.0259 0.1452
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0014 0.0054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0091 0.0368
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0091 0.0492
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0179 0.0997
Loa Loa (eye worm) hypothetical protein 0.005 0.0309 0.1741
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0005 0.002
Brugia malayi ecdysteroid receptor 0.0021 0.0091 0.0492
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0148 0.4894
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0091 0.0368
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0091 0.0492
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0091 0.0368
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0492
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0049 0.025
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0194 0.0786
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0027 0.0109
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0011 0.0012 0.0042
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0014 0.0053
Onchocerca volvulus 0.0033 0.0179 0.0871
Trichomonas vaginalis mercuric reductase, putative 0.0015 0.0043 0.0211
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0091 0.043
Loa Loa (eye worm) hypothetical protein 0.0147 0.1042 0.5933
Plasmodium vivax thioredoxin reductase, putative 0.0044 0.0259 1
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0375 0.2767 0.2737
Echinococcus granulosus GPCR family 2 0.0016 0.0049 0.0197
Mycobacterium tuberculosis Probable oxidoreductase 0.0111 0.0766 0.1017
Loa Loa (eye worm) hypothetical protein 0.0029 0.0148 0.0821
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0091 0.0368
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0309 0.1741
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0091 0.0492
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0148 0.0535
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0091 0.043
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0091 0.0492
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0005 0.002
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0053
Plasmodium vivax SET domain protein, putative 0.0035 0.0194 0.7027
Giardia lamblia NADH oxidase lateral transfer candidate 0.0015 0.0043 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0049 0.025
Echinococcus multilocularis thioredoxin glutathione reductase 0.0044 0.0263 0.1064
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0049 0.0197
Brugia malayi hypothetical protein 0.0147 0.1042 0.5933
Brugia malayi hypothetical protein 0.0019 0.007 0.0374
Mycobacterium tuberculosis Probable dehydrogenase 0.01 0.0682 0.0899
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0005 0.002
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0091 0.0492
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0005 0.002
Trichomonas vaginalis set domain proteins, putative 0.0274 0.2004 1
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0197
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0194 0.0786
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0053
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0014 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0091 0.0492
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0091 0.0492
Toxoplasma gondii NADPH-glutathione reductase 0.0015 0.0043 0.0153
Echinococcus multilocularis cpg binding protein 0.0035 0.0193 0.0782
Schistosoma mansoni nuclear hormone receptor 0.001 0.0005 0.002
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0492
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0197
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0049 0.025
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0241 0.1752 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0091 0.0368
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0091 0.0368

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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