Detailed information for compound 1282283

Basic information

Technical information
  • TDR Targets ID: 1282283
  • Name: 3-(2-methyl-5-nitrophenyl)-1-(2-phenylethyl)t hiourea
  • MW: 315.39 | Formula: C16H17N3O2S
  • H donors: 1 H acceptors: 2 LogP: 4.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=Nc1cc(ccc1C)[N+](=O)[O-])NCCc1ccccc1
  • InChi: 1S/C16H17N3O2S/c1-12-7-8-14(19(20)21)11-15(12)18-16(22)17-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,17,18,22)
  • InChiKey: ROSRZAXWFNDWBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-methyl-5-nitro-phenyl)-1-(2-phenylethyl)thiourea
  • Oprea1_626114
  • ZINC07522832

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Polyketide synthase Pks12 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 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) hypothetical protein 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
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 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
Toxoplasma gondii type I fatty acid synthase, putative 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
Mycobacterium ulcerans Type I modular polyketide synthase 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
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 tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 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
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 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 tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 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
Neospora caninum Short-chain dehydrogenase/reductase SDR, related 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
Neospora caninum KR domain domain-containing protein, putative 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
Mycobacterium ulcerans Type I modular polyketide 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
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 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 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 ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 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 tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 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 Pks13 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 PpsC 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
Cryptosporidium hominis hypothetical protein 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
Onchocerca volvulus 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
Loa Loa (eye worm) acyl carrier 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
Toxoplasma gondii type I fatty acid synthase, 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
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.0069 0.6337
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0048 0.4398
Brugia malayi steroid hormone receptor 0.0012 0.0009 0.0009
Echinococcus multilocularis protein patched 0.1363 0.41 0.4095
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3312 1 0.5
Brugia malayi RNA binding protein 0.0062 0.016 0.016
Mycobacterium ulcerans thioesterase 0.0025 0.0048 0.0048
Echinococcus granulosus Protein patched homolog 1 0.1363 0.41 0.4095
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.003 0.0021
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.0069 0.6337
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0009 0.0009
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.3312 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0009 0.0009
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0031 0.2574
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0037 0.3708
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3312 1 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0041 0.0097 0.0088
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0003 0.0306
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0009 0.0009
Echinococcus granulosus sterol regulatory element binding protein 0.1363 0.41 0.4095
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0046 0.4299
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.0069 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.3312 1 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.003 0.003
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0045 0.0045
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.0032 0.2941
Echinococcus multilocularis GPCR, family 2 0.0019 0.003 0.0021
Echinococcus granulosus Niemann Pick C1 protein 0.1363 0.41 0.4095
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0041 0.0097 0.0088
Schistosoma mansoni patched 1 0.1363 0.41 0.4095
Brugia malayi TAR-binding protein 0.0062 0.016 0.016
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1554 0.4676 1
Schistosoma mansoni hypothetical protein 0.0019 0.003 0.0021
Loa Loa (eye worm) hypothetical protein 0.006 0.0154 0.0145
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0063 0.0063
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.0136 1
Brugia malayi ecdysteroid receptor 0.0012 0.0009 0.0009
Schistosoma mansoni tar DNA-binding protein 0.0062 0.016 0.0152
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.0032 0.0032
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.0063 0.5834
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.003 0.003
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0063 0.5834
Echinococcus multilocularis protein dispatched 1 0.1363 0.41 0.4095
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1554 0.4676 0.5
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0069 0.0069
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0063 0.0063
Echinococcus multilocularis sterol regulatory element binding protein 0.1363 0.41 0.4095
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0009 0.0009
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.006 0.5576
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0014 0.0005
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.0063 0.0063
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.003 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0062 0.016 0.0152
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.0069 0.6357
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0009 0.0009
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.0063 0.581
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.0032 0.0032
Echinococcus multilocularis tar DNA binding protein 0.0062 0.016 0.0152
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0014
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.3312 1 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.0145 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0009 0.0009
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0009 0.0009
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1554 0.4676 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0057 0.0057
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.0108 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0019 0.003 0.0021
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0045 0.4155
Mycobacterium ulcerans fatty acid synthase Fas 0.0009 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0019 0.003 0.0021
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0154 0.0154
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0037 0.3461
Loa Loa (eye worm) TAR-binding protein 0.0062 0.016 0.0152
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0009 0.0817
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0154 0.0154
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.3312 1 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0048 0.443
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.3312 1 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.016 0.0152
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0048 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0062 0.016 0.0152
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0009 0.0009
Loa Loa (eye worm) fatty acid synthase 0.003 0.0062 0.0053
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0327 0.0318
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.0069 0.6357
Schistosoma mansoni hypothetical protein 0.0019 0.003 0.0021
Brugia malayi MH2 domain containing protein 0.0117 0.0327 0.0327
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.0057 0.0048
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0009 0.0001 0.0056
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0097 0.0097
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.006 0.5576
Echinococcus multilocularis Niemann Pick C1 protein 0.1363 0.41 0.4095
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.003 0.0021
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0009 0.0009
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1363 0.41 0.4095
Schistosoma mansoni tar DNA-binding protein 0.0062 0.016 0.0152
Mycobacterium ulcerans polyketide synthase 0.0032 0.0069 0.0069
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.0069 0.0069
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.003 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0009 0.0009
Loa Loa (eye worm) RNA binding protein 0.0062 0.016 0.0152
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1554 0.4676 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.0063 0.581
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0154 0.0145
Loa Loa (eye worm) hypothetical protein 0.0051 0.0125 0.0116
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.3312 1 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.3312 1 1
Mycobacterium ulcerans polyketide synthase 0.003 0.0063 0.0063
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0063 0.0063
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0063 0.0063
Schistosoma mansoni tar DNA-binding protein 0.0062 0.016 0.0152
Loa Loa (eye worm) hypothetical protein 0.1363 0.41 0.4095
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0009 0.0009
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.016 0.016
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0063 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0024 0.2199
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.0108 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1363 0.41 0.4095
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0045 0.0045
Brugia malayi nuclear hormone receptor 0.0012 0.0009 0.0009
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0327 0.0318
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.003 0.0021
Onchocerca volvulus 0.0028 0.0057 0.3783
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0069 0.6357
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.0057 0.528
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0009 0.0009
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.016 0.0152
Onchocerca volvulus 0.0052 0.013 0.9555
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0009 0.0009
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.0108 1
Schistosoma mansoni hypothetical protein 0.0019 0.003 0.0021
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.0069 0.6337
Echinococcus granulosus GPCR family 2 0.0019 0.003 0.0021
Brugia malayi CHE-14 protein 0.1363 0.41 0.41

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 12.1 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) 13.1 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) 0.1122 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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) 13.1154 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) 32.6427 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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