Detailed information for compound 1417899

Basic information

Technical information
  • TDR Targets ID: 1417899
  • Name: 4-amino-2-methyl-N-[3-(trifluoromethyl)phenyl ]pyrazole-3-carboxamide
  • MW: 284.237 | Formula: C12H11F3N4O
  • H donors: 2 H acceptors: 2 LogP: 2.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(N)cnn1C)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C12H11F3N4O/c1-19-10(9(16)6-17-19)11(20)18-8-4-2-3-7(5-8)12(13,14)15/h2-6H,16H2,1H3,(H,18,20)
  • InChiKey: LTBMAGSCTMUDFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-amino-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide
  • 4-Amino-2-methyl-2H-pyrazole-3-carboxylic acid (3-trifluoromethyl-phenyl)-amide
  • MLS000033620
  • SMR000009249
  • ZINC00196862
  • BAS 00614286
  • CBDivE_006620

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
Brugia malayi hypothetical protein 0.0033 0.0084 0.0012
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0385 0.3033 1
Schistosoma mansoni hypothetical protein 0.0385 0.3033 0.4477
Echinococcus multilocularis isocitrate dehydrogenase 0.0259 0.1979 0.6523
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0259 0.1979 1
Brugia malayi Latrophilin receptor protein 2 0.0385 0.3033 0.2983
Loa Loa (eye worm) hypothetical protein 0.0183 0.1343 0.128
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0259 0.1979 0.6523
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0259 0.1979 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.1216 1 1
Loa Loa (eye worm) hypothetical protein 0.0831 0.6775 0.6752
Loa Loa (eye worm) hypothetical protein 0.1216 1 1
Loa Loa (eye worm) hypothetical protein 0.0241 0.183 0.177
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0259 0.1979 1
Schistosoma mansoni tar DNA-binding protein 0.0328 0.2562 0.3781
Loa Loa (eye worm) isocitrate dehydrogenase 0.0259 0.1979 0.192
Loa Loa (eye worm) latrophilin receptor protein 2 0.0385 0.3033 0.2983
Brugia malayi RNA recognition motif domain containing protein 0.0328 0.2562 0.2508
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1216 1 1
Leishmania major hypothetical protein, conserved 0.0051 0.0235 0.0854
Schistosoma mansoni unc-13 (munc13) 0.0031 0.0072 0.0107
Brugia malayi RNA binding protein 0.0328 0.2562 0.2508
Entamoeba histolytica tartrate dehydrogenase, putative 0.0031 0.0072 0.5
Schistosoma mansoni tar DNA-binding protein 0.0328 0.2562 0.3781
Loa Loa (eye worm) TAR-binding protein 0.0328 0.2562 0.2508
Brugia malayi photoreceptor-specific nuclear receptor 0.0241 0.183 0.177
Brugia malayi N-terminal motif family protein 0.0183 0.1343 0.128
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0385 0.3033 0.2983
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0385 0.3033 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0259 0.1979 0.6523
Loa Loa (eye worm) RNA binding protein 0.0328 0.2562 0.2508
Schistosoma mansoni tar DNA-binding protein 0.0328 0.2562 0.3781
Schistosoma mansoni hypothetical protein 0.0385 0.3033 0.4477
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0259 0.1979 0.6523
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0031 0.0072 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0259 0.1979 0.292
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0031 0.0072 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.1343 0.5
Echinococcus multilocularis tar DNA binding protein 0.0328 0.2562 0.8446
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0259 0.1979 1
Schistosoma mansoni hypothetical protein 0.0385 0.3033 0.4477
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0031 0.0072 0.0238
Schistosoma mansoni isocitrate dehydrogenase 0.0031 0.0072 0.0107
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0031 0.0072 0.0238
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0259 0.1979 1
Loa Loa (eye worm) hypothetical protein 0.0385 0.3033 0.2983
Schistosoma mansoni hypothetical protein 0.0385 0.3033 0.4477
Toxoplasma gondii isocitrate dehydrogenase 0.0259 0.1979 1
Echinococcus multilocularis GPCR, family 2 0.0385 0.3033 1
Brugia malayi hypothetical protein 0.0051 0.0235 0.0164
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0385 0.3033 1
Schistosoma mansoni hypothetical protein 0.0831 0.6775 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0031 0.0072 0.0238
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0031 0.0072 0.5
Brugia malayi TAR-binding protein 0.0328 0.2562 0.2508
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0328 0.2562 0.2508
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0259 0.1979 0.6523
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0031 0.0072 0.0107
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0259 0.1979 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0235 0.0164
Toxoplasma gondii isocitrate dehydrogenase 0.0259 0.1979 1
Schistosoma mansoni tar DNA-binding protein 0.0328 0.2562 0.3781
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0385 0.3033 1
Schistosoma mansoni tar DNA-binding protein 0.0328 0.2562 0.3781
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0031 0.0072 0.5
Brugia malayi Isocitrate dehydrogenase 0.0259 0.1979 0.192
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0259 0.1979 1
Brugia malayi latrophilin 2 splice variant baaae 0.0831 0.6775 0.6752
Brugia malayi isocitrate dehydrogenase 0.0259 0.1979 0.192
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0259 0.1979 0.6523
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0031 0.0072 0.0238
Echinococcus granulosus tar DNA binding protein 0.0328 0.2562 0.8446
Echinococcus granulosus GPCR family 2 0.0385 0.3033 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0259 0.1979 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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