Detailed information for compound 1265900

Basic information

Technical information
  • TDR Targets ID: 1265900
  • Name: 3-[(4-chlorophenyl)methyl]-2-methyl-6-nitroqu inazolin-4-one
  • MW: 329.738 | Formula: C16H12ClN3O3
  • H donors: 0 H acceptors: 3 LogP: 2.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1c(C)nc2c(c1=O)cc(cc2)[N+](=O)[O-]
  • InChi: 1S/C16H12ClN3O3/c1-10-18-15-7-6-13(20(22)23)8-14(15)16(21)19(10)9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3
  • InChiKey: WYQKJNYZIHBLLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(4-chlorophenyl)methyl]-2-methyl-6-nitro-quinazolin-4-one
  • 3-[(4-chlorophenyl)methyl]-2-methyl-6-nitro-4-quinazolinone
  • 3-(4-chlorobenzyl)-2-methyl-6-nitro-quinazolin-4-one
  • 3-(4-Chloro-benzyl)-2-methyl-6-nitro-3H-quinazolin-4-one
  • ASN 04445513
  • ZINC00930635

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
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_132352 All targets in OG5_132352
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
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
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.1948 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0766 0.3934
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Brugia malayi TAR-binding protein 0.0076 0.3824 0.3561
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.1175 0.6033
Leishmania major hypothetical protein, conserved 0.003 0.1087 0.5
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.1724 0.4376
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.041 0.0314
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.041 0.0324
Loa Loa (eye worm) hypothetical protein 0.0019 0.041 0.0314
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0293 0.1505
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.1175 0.6033
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.1064 0.4065
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3824 0.3763
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1087 0.5
Mycobacterium ulcerans polyketide synthase 0.003 0.1064 0.4065
Loa Loa (eye worm) hypothetical protein 0.003 0.1087 0.0998
Loa Loa (eye worm) hypothetical protein 0.0051 0.2279 0.2202
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.0947 0.0856
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.1175 1
Echinococcus multilocularis muscleblind protein 0.018 1 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0437 0.2574
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.1948 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0549 0.3708
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3824 0.3763
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1724 0.137
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1087 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.041 0.0324
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3824 0.3561
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0715 0.172
Brugia malayi hypothetical protein 0.003 0.1087 0.0706
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.1175 0.6033
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3824 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.1948 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.041 0.0324
Loa Loa (eye worm) hypothetical protein 0.0017 0.0279 0.0181
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.101 0.5182
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.1064 0.4065
Onchocerca volvulus 0.0052 0.2388 0.9285
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.2664 0.2351
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3824 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2856 0.2784
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1087 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.1064 0.5463
Loa Loa (eye worm) RNA binding protein 0.0076 0.3824 0.3763
Loa Loa (eye worm) fatty acid synthase 0.003 0.1041 0.0951
Echinococcus granulosus GPCR family 2 0.0019 0.041 0.0324
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.1175 0.481
Brugia malayi RNA binding protein 0.0076 0.3824 0.3561
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.1064 0.5463
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0766 0.2064
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.1064 0.4065
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.1064 0.0683
Schistosoma mansoni hypothetical protein 0.0019 0.041 0.0859
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.2499 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.041 0.0324
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2856 0.2784
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2856 0.2551
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0766 0.2064
Schistosoma mansoni hypothetical protein 0.0019 0.041 0.0859
Loa Loa (eye worm) hypothetical protein 0.0041 0.1724 0.1641
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0739 0.3792
Mycobacterium ulcerans polyketide synthase 0.0032 0.1175 0.481
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3824 1
Schistosoma mansoni hypothetical protein 0.0019 0.041 0.0859
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.0947 0.4861
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.041 0.0324
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1087 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3824 0.3769
Echinococcus granulosus muscleblind protein 0.018 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1087 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3824 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.1064 0.4065
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0715 0.172
Schistosoma mansoni hypothetical protein 0.0019 0.041 0.0859
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.1175 0.481
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1087 0.9109
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2856 0.2551
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0561 0.288
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.1064 0.4065
Echinococcus granulosus tar DNA binding protein 0.0076 0.3824 0.3769
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0947 0.056
Brugia malayi hypothetical protein 0.002 0.0445 0.0037
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.101 0.5182
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0715 0.172
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.1064 0.4065
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3824 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.1948 1
Mycobacterium ulcerans thioesterase 0.0025 0.0766 0.2064
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.1175 0.481
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1087 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.1064 0.5463
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.1175 0.481
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.1175 0.481

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0.906 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 1.05 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 1.7783 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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) = 25.1189 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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
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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