Detailed information for compound 1456459

Basic information

Technical information
  • TDR Targets ID: 1456459
  • Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl ]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
  • MW: 381.415 | Formula: C18H18F3N3OS
  • H donors: 0 H acceptors: 3 LogP: 4.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)N1CCCC1)Sc1nc(cc(n1)C(F)(F)F)c1ccccc1
  • InChi: 1S/C18H18F3N3OS/c1-12(16(25)24-9-5-6-10-24)26-17-22-14(13-7-3-2-4-8-13)11-15(23-17)18(19,20)21/h2-4,7-8,11-12H,5-6,9-10H2,1H3
  • InChiKey: SMFHVUMOGMGCKT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one
  • 2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-1-pyrrolidinylpropan-1-one
  • 2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-pyrrolidin-1-yl-propan-1-one
  • MLS000115182
  • BAS 03153430
  • ST5270054
  • AN-329/42285924
  • SMR000092374

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens tumor necrosis factor (ligand) superfamily, member 10 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0068 0.0284 0.5
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0222 0.0259
Onchocerca volvulus 0.0023 0.0001 0.0003
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0234 0.0233
Schistosoma mansoni alpha-glucosidase 0.0139 0.0728 0.085
Onchocerca volvulus 0.0093 0.0442 0.2763
Schistosoma mansoni tyrosinase precursor 0.132 0.8138 0.9512
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0453 0.0529
Schistosoma mansoni alpha-glucosidase 0.0139 0.0728 0.085
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0234 0.8222
Brugia malayi follicle stimulating hormone receptor 0.0245 0.1391 0.8692
Echinococcus granulosus microtubule associated protein 2 0.1387 0.8556 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0234 0.0273
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0112 0.0702
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.0869 0.0868
Mycobacterium leprae Probable lipase LipE 0.0043 0.0129 1
Schistosoma mansoni phosphoglucomutase 0.0068 0.0284 0.0332
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0129 0.5522
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0129 0.2363
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0001 0.0003
Toxoplasma gondii ribonuclease HI protein 0.0068 0.0284 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0001 0.0003
Schistosoma mansoni tyrosinase precursor 0.132 0.8138 0.9512
Brugia malayi CHE-14 protein 0.0041 0.0112 0.0702
Echinococcus multilocularis microtubule associated protein 2 0.1387 0.8556 0.8556
Loa Loa (eye worm) ShTK domain-containing protein 0.0278 0.16 1
Onchocerca volvulus 0.0278 0.16 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0001 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0112 0.1542
Brugia malayi Common central domain of tyrosinase family protein 0.0278 0.16 1
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0222 0.0259
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.0807
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0129 0.0129
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0001 0.0003
Onchocerca volvulus Bile acid receptor homolog 0.0023 0.0001 0.0003
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0222 0.0221
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0001 0.0003
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0245 0.1391 0.8692
Toxoplasma gondii ABC1 family protein 0.0043 0.0129 0.2363
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0112 0.0131
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0321 0.1736
Brugia malayi ecdysteroid receptor 0.0023 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0033 0.0063 0.0393
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.0807
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0129 0.0807
Schistosoma mansoni hypothetical protein 0.0039 0.0103 0.012
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0023 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0023 0.0001 0.0003
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0129 0.0348
Trypanosoma brucei ingi protein (ORF1) 0.0074 0.0321 0.1736
Schistosoma mansoni tar DNA-binding protein 0.0061 0.024 0.028
Loa Loa (eye worm) ShTK domain-containing protein 0.0278 0.16 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0129 0.015
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0234 0.7513
Onchocerca volvulus 0.0278 0.16 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0228 0.1289 0.8059
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0278 0.16 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0001 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0129 0.2363
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0001 0.0003
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1599 1
Trichomonas vaginalis esterase, putative 0.0043 0.0129 0.2363
Echinococcus multilocularis expressed conserved protein 0.0089 0.0417 0.0416
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0112 0.0131
Brugia malayi RNase H family protein 0.0068 0.0284 0.1777
Echinococcus granulosus expressed conserved protein 0.0089 0.0417 0.0487
Schistosoma mansoni hypothetical protein 0.0256 0.1461 0.1707
Trypanosoma cruzi ribonuclease H1, putative 0.0068 0.0284 1
Trypanosoma brucei RNA helicase, putative 0.0256 0.1461 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0453 0.2831
Brugia malayi steroid hormone receptor 0.0023 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0278 0.16 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0129 0.5522
Echinococcus granulosus ribonuclease H1 0.0068 0.0284 0.0332
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0462 0.054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0001 0.0003
Schistosoma mansoni microtubule-associated protein tau 0.1387 0.8556 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0129 1
Trypanosoma brucei ribonuclease H1 0.0068 0.0284 0.1473
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0129 0.0807
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0081 0.1789
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0129 0.2363
Onchocerca volvulus 0.0278 0.16 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0129 0.5522
Leishmania major hypothetical protein, conserved 0.0043 0.0129 0.454
Brugia malayi RNase H family protein 0.0068 0.0284 0.1777
Loa Loa (eye worm) hypothetical protein 0.0023 0.0001 0.0003
Brugia malayi RNase H family protein 0.0068 0.0284 0.1777
Schistosoma mansoni phosphoglucomutase 0.0068 0.0284 0.0332
Treponema pallidum ribonuclease H (rnhA) 0.0068 0.0284 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.0807
Mycobacterium tuberculosis Conserved protein 0.0043 0.0129 0.0807
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0001 0.0003
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0129 0.0807
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.0807
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0001 0.0003
Loa Loa (eye worm) TAR-binding protein 0.0061 0.024 0.1501
Giardia lamblia Ribonuclease H 0.0068 0.0284 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.0869 0.5432
Loa Loa (eye worm) beta-lactamase 0.0043 0.0129 0.0807
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0222 0.0259
Brugia malayi TAR-binding protein 0.0061 0.024 0.1501
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.0869 0.1015
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0129 0.0807
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0081 0.1789
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.0807
Loa Loa (eye worm) hypothetical protein 0.0023 0.0001 0.0003
Brugia malayi nuclear receptor NHR-88 0.0023 0.0001 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0001 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0061 0.024 0.028
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0222 0.1387
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0453 0.0452
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.0709 0.0709
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0129 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.0103 0.012
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0234 0.0273
Schistosoma mansoni hypothetical protein 0.0033 0.0063 0.0073
Onchocerca volvulus 0.0043 0.0129 0.0807
Loa Loa (eye worm) hypothetical protein 0.0048 0.0158 0.099
Loa Loa (eye worm) RNA binding protein 0.0061 0.024 0.1501
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0001 0.0003
Onchocerca volvulus 0.0043 0.0129 0.0807
Mycobacterium tuberculosis Conserved protein 0.0043 0.0129 0.0807
Trypanosoma cruzi ribonuclease H1, putative 0.0068 0.0284 1
Echinococcus granulosus tar DNA binding protein 0.0061 0.024 0.028
Schistosoma mansoni hypothetical protein 0.0039 0.0103 0.012
Echinococcus multilocularis ribonuclease H1 0.0068 0.0284 0.0284
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0129 0.015
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0001 0.0003
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.1289 0.1506
Schistosoma mansoni hypothetical protein 0.0039 0.0103 0.012
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0158 0.099
Loa Loa (eye worm) hypothetical protein 0.0023 0.0001 0.0003
Brugia malayi ShTK domain containing protein 0.0278 0.16 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0129 0.2363
Trypanosoma brucei ingi protein (ORF1) 0.0074 0.0321 0.1736
Schistosoma mansoni survival motor neuron protein 0.0047 0.0149 0.0173
Loa Loa (eye worm) hypothetical protein 0.0023 0.0001 0.0003
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0129 0.0807
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0081 0.0506
Trypanosoma brucei unspecified product 0.0074 0.0321 0.1736
Loa Loa (eye worm) hypothetical protein 0.0278 0.16 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0222 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0023 0.0001 0.0003
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0222 0.0221
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0278 0.16 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0001 0.0003
Brugia malayi nuclear hormone receptor 0.0023 0.0001 0.0003
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0074 0.0321 0.1736
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.024 0.1501
Leishmania major ribonuclease H1, putative 0.0068 0.0284 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0158 0.099
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0129 0.0807
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0001 0.0003
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0001 0.0003
Brugia malayi RNA binding protein 0.0061 0.024 0.1501
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.0869 0.0868
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0129 0.2363
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0129 0.0807
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0453 1
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0001 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0061 0.024 0.028
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0129 0.0807
Schistosoma mansoni patched 1 0.0041 0.0112 0.0131
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0234 0.1462
Loa Loa (eye worm) hypothetical protein 0.005 0.017 0.1062
Schistosoma mansoni tar DNA-binding protein 0.0061 0.024 0.028
Brugia malayi beta-lactamase family protein 0.0043 0.0129 0.0807
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0129 0.2363
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0158 0.099
Onchocerca volvulus 0.0278 0.16 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0129 0.0807
Onchocerca volvulus Protein ultraspiracle homolog 0.0023 0.0001 0.0003
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0063 0.0393
Brugia malayi beta-lactamase 0.0043 0.0129 0.0807
Brugia malayi beta-lactamase family protein 0.0043 0.0129 0.0807
Brugia malayi hypothetical protein 0.0228 0.1289 0.8059
Echinococcus multilocularis tar DNA binding protein 0.0061 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0041 0.0112 0.0702
Trichomonas vaginalis ribonuclease H1, putative 0.0068 0.0284 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0001 0.0003
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0234 1
Onchocerca volvulus 0.0043 0.0129 0.0807
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.0709 0.0828
Schistosoma mansoni hypothetical protein 0.0047 0.0149 0.0173
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.0807
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0129 0.2363
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0234 1
Onchocerca volvulus 0.0047 0.0149 0.0929
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0453 0.2831
Brugia malayi jmjC domain containing protein 0.0058 0.0222 0.1387
Echinococcus multilocularis protein patched 0.0041 0.0112 0.0112
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0081 0.0081
Mycobacterium tuberculosis Conserved protein 0.0043 0.0129 0.0807
Loa Loa (eye worm) tyrosinase 1 0.0278 0.16 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0001 0.0003
Mycobacterium ulcerans lipase LipD 0.0043 0.0129 0.5522
Brugia malayi jmjC domain containing protein 0.0058 0.0222 0.1387
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.1289 0.1289
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0278 0.16 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0222 0.0259
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0001 0.0003
Echinococcus multilocularis protein dispatched 1 0.0047 0.0149 0.0148
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.0869 0.5432
Onchocerca volvulus Ribonuclease H1 homolog 0.0068 0.0284 0.1777
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0278 0.16 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0234 0.0273
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0234 1
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.024 0.1501
Loa Loa (eye worm) hypothetical protein 0.0023 0.0001 0.0003
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0081 0.0094
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0081 0.0506
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0001 0.0003
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0001 0.0003
Mycobacterium ulcerans beta-lactamase 0.0043 0.0129 0.5522
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0149 0.0929
Schistosoma mansoni phosphoglucomutase 0.0068 0.0284 0.0332
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0129 0.015
Loa Loa (eye worm) hypothetical protein 0.0023 0.0001 0.0003
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0081 0.285
Schistosoma mansoni alpha glucosidase 0.0036 0.0081 0.0094
Schistosoma mansoni tar DNA-binding protein 0.0061 0.024 0.028

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.243 uM PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method from CP1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID492947, AID504448] ChEMBL. No reference
IC50 (functional) > 10 uM PUBCHEM_BIOASSAY: SAR analysis of compounds that potentiate TRAIL-induced apoptosis in MDA-MB-435 cells. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1443, AID1447, AID1624, AID1640] ChEMBL. No reference
IC50 (functional) > 10 uM PUBCHEM_BIOASSAY: SAR analysis of compounds that potentiate TRAIL-induced apoptosis in PPC-1 cells. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1443, AID1447, AID1640] ChEMBL. No reference
IC50 (functional) > 10 uM PUBCHEM_BIOASSAY: SAR analysis of compounds cytotoxic to MDA-MB-435 cells. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1443, AID1447, AID1624, AID1640] ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 18.526 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 50.1187 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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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