Detailed information for compound 1328089

Basic information

Technical information
  • TDR Targets ID: 1328089
  • Name: 5-chloro-3-methyl-1-(phenylmethyl)-N-[4-(trif luoromethoxy)phenyl]pyrazole-4-carboxamide
  • MW: 409.79 | Formula: C19H15ClF3N3O2
  • H donors: 1 H acceptors: 2 LogP: 5.21 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(C)nn(c1Cl)Cc1ccccc1)Nc1ccc(cc1)OC(F)(F)F
  • InChi: 1S/C19H15ClF3N3O2/c1-12-16(17(20)26(25-12)11-13-5-3-2-4-6-13)18(27)24-14-7-9-15(10-8-14)28-19(21,22)23/h2-10H,11H2,1H3,(H,24,27)
  • InChiKey: UYWCJFNQYGMVRT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-chloro-3-methyl-1-(phenylmethyl)-N-[4-(trifluoromethoxy)phenyl]-4-pyrazolecarboxamide
  • 1-(benzyl)-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
  • ZINC02655241
  • MLS000335597
  • SMR000253351

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Conserved protein 0.0696 1 0.5
Brugia malayi hypothetical protein 0.0286 0.3831 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0692 0.0332
Echinococcus multilocularis geminin 0.0205 0.2615 0.233
Toxoplasma gondii LsmAD domain-containing protein 0.003 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0692 0.1805
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0372 0.0215
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0692 0.0539
Schistosoma mansoni sphingosine kinase A B 0.0696 1 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.3831 0.3831
Mycobacterium ulcerans hypothetical protein 0.0696 1 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.0418 0.0261
Schistosoma mansoni survival motor neuron protein 0.0058 0.0418 0.0261
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0692 0.0539
Trypanosoma brucei PAB1-binding protein , putative 0.003 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0692 0.0539
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0692 0.0692
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0372 0.0215
Echinococcus granulosus geminin 0.0205 0.2615 0.233
Echinococcus multilocularis sphingosine kinase 1 0.0696 1 1
Schistosoma mansoni sphingoid long chain base kinase 0.0696 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0692 0.0692
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0692 0.0539
Schistosoma mansoni hypothetical protein 0.0205 0.2615 0.2495
Plasmodium vivax ataxin-2 like protein, putative 0.003 0 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.2615 0.2495
Brugia malayi TAR-binding protein 0.0076 0.0692 0.1805
Loa Loa (eye worm) hypothetical protein 0.006 0.0447 0.0447
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0418 0.109
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0041 0.0161 0.0161
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0447 0.1167
Brugia malayi RNA binding protein 0.0076 0.0692 0.1805
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0447 0.1167
Onchocerca volvulus 0.0058 0.0418 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0372 0.0972
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0692 0.0539
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3831 0.3592
Loa Loa (eye worm) RNA binding protein 0.0076 0.0692 0.0692
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0692 0.0332
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0161 0.042
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0372 0.0372
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3831 0.3592
Entamoeba histolytica hypothetical protein, conserved 0.0696 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0696 1 1
Leishmania major hypothetical protein, conserved 0.003 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0372 0.0215

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.