Detailed information for compound 1476845

Basic information

Technical information
  • TDR Targets ID: 1476845
  • Name: 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin -4-yl)sulfanylethanone
  • MW: 340.414 | Formula: C19H17FN2OS
  • H donors: 0 H acceptors: 3 LogP: 5.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)CSc1nc(nc2c1cccc2)C(C)C
  • InChi: 1S/C19H17FN2OS/c1-12(2)18-21-16-6-4-3-5-15(16)19(22-18)24-11-17(23)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3
  • InChiKey: JONSZNRJFUOKMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-fluorophenyl)-2-(2-isopropylquinazolin-4-yl)sulfanyl-ethanone
  • 1-(4-fluorophenyl)-2-[(2-isopropyl-4-quinazolinyl)thio]ethanone
  • 1-(4-fluorophenyl)-2-[(2-isopropylquinazolin-4-yl)thio]ethanone
  • 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanone
  • MLS000855954
  • SMR000286399
  • ASN 06533259
  • ZINC01343006
  • 1-(4-Fluoro-phenyl)-2-(2-isopropyl-quinazolin-4-ylsulfanyl)-ethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
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) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) RNA 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
Schistosoma mansoni tar DNA-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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0316 0.3553 1
Schistosoma mansoni malate dehydrogenase 0.0316 0.3553 0.3466
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0574 0.0244
Echinococcus granulosus tar DNA binding protein 0.0076 0.0574 0.0244
Trypanosoma brucei glycosomal malate dehydrogenase 0.0316 0.3553 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0346 0.0216
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0133 0.0137
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0574 0.0589
Loa Loa (eye worm) MBCTL1 0.0066 0.0438 0.0449
Echinococcus multilocularis malate dehydrogenase 0.0316 0.3553 0.3328
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0316 0.3553 1
Brugia malayi TAR-binding protein 0.0076 0.0574 0.0589
Schistosoma mansoni L-lactate dehydrogenase 0.0316 0.3553 0.3466
Echinococcus granulosus cytosolic malate dehydrogenase 0.0316 0.3553 0.3328
Schistosoma mansoni hypothetical protein 0.0205 0.217 0.2064
Trypanosoma brucei malate dehydrogenase-related 0.0316 0.3553 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0438 0.0449
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0346 0.0356
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0316 0.3553 0.3328
Brugia malayi hypothetical protein 0.0286 0.3178 0.3263
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0812 0.9737 0.5
Echinococcus multilocularis malate dehydrogenase 0.0316 0.3553 0.3328
Plasmodium vivax lactate dehydrogenase 0.0812 0.9737 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0316 0.3553 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0316 0.3553 0.3328
Echinococcus multilocularis geminin 0.0205 0.217 0.1895
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0316 0.3553 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0316 0.3553 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0316 0.3553 1
Schistosoma mansoni malate dehydrogenase 0.0316 0.3553 0.3466
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1416 0.1455
Loa Loa (eye worm) hypothetical protein 0.0041 0.0133 0.0137
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Echinococcus multilocularis L lactate dehydrogenase 0.0496 0.5805 0.5658
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0438 0.0449
Toxoplasma gondii malate dehydrogenase MDH 0.0812 0.9737 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.2448 0.2184
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0534 0.0549
Loa Loa (eye worm) malate dehydrogenase 0.0316 0.3553 0.3649
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Plasmodium falciparum L-lactate dehydrogenase 0.0812 0.9737 1
Echinococcus granulosus neuropeptide s receptor 0.0558 0.6576 0.6456
Toxoplasma gondii lactate dehydrogenase LDH2 0.0812 0.9737 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0316 0.3553 1
Leishmania major cytosolic malate dehydrogenase 0.0316 0.3553 0.3649
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Echinococcus granulosus malate dehydrogenase 0.0316 0.3553 0.3328
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0338 0.0208
Echinococcus multilocularis lactate dehydrogenase protein 0.0812 0.9737 0.9728
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0574 0.0446
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0316 0.3553 0.3649
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0438 0.0308
Echinococcus multilocularis lactate dehydrogenase a 0.0812 0.9737 0.9728
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3178 0.2939
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Brugia malayi lactate dehydrogenase. 0.0812 0.9737 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0812 0.9737 0.9728
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Leishmania major malate dehydrogenase, putative 0.0316 0.3553 0.3649
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3178 0.2939
Schistosoma mansoni L-lactate dehydrogenase 0.0812 0.9737 0.9734
Brugia malayi mbt repeat family protein 0.0058 0.0338 0.0347
Echinococcus granulosus lactate dehydrogenase a 0.0812 0.9737 0.9728
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1416 0.1455
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0338 0.0208
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0316 0.3553 1
Mycobacterium ulcerans malate dehydrogenase 0.0316 0.3553 1
Echinococcus multilocularis lactate dehydrogenase a 0.0812 0.9737 0.9728
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0316 0.3553 1
Echinococcus granulosus L lactate dehydrogenase 0.0496 0.5805 0.5658
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0371 0.0381
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0574 0.0446
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0534 0.0406
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0316 0.3553 0.3328
Plasmodium falciparum malate dehydrogenase 0.0812 0.9737 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0534 0.0406
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0438 0.0103
Brugia malayi RNA binding protein 0.0076 0.0574 0.0589
Loa Loa (eye worm) hypothetical protein 0.0058 0.0338 0.0347
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0534 0.0203
Onchocerca volvulus 0.0058 0.0346 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0574 0.0589
Chlamydia trachomatis malate dehydrogenase 0.0316 0.3553 0.5
Giardia lamblia Malate dehydrogenase 0.0316 0.3553 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0534 0.0549
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.6576 0.6456
Brugia malayi MH2 domain containing protein 0.0144 0.1416 0.1455
Loa Loa (eye worm) hypothetical protein 0.0286 0.3178 0.3263
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0316 0.3553 0.3649
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0316 0.3553 0.3649
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Plasmodium falciparum lactate dehydrogenase, putative 0.0316 0.3553 0.3649
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0338 0.0208
Schistosoma mansoni hypothetical protein 0.0058 0.0346 0.0216
Brugia malayi mbt repeat family protein 0.0058 0.0338 0.0347
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0534 0.0203
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0574 0.0446
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0371 0.0381
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0438 0.0103
Loa Loa (eye worm) hypothetical protein 0.006 0.0371 0.0381
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.6576 0.6456
Leishmania major malate dehydrogenase 0.0316 0.3553 0.3649
Leishmania major mitochondrial malate dehydrogenase 0.0316 0.3553 0.3649
Loa Loa (eye worm) malate dehydrogenase 0.0316 0.3553 0.3649
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0438 0.0103
Leishmania major glycosomal malate dehydrogenase 0.0316 0.3553 0.3649
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0574 0.0446
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0316 0.3553 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0438 0.0103
Entamoeba histolytica malate dehydrogenase, putative 0.0812 0.9737 1
Echinococcus granulosus malate dehydrogenase 0.0316 0.3553 0.3328
Toxoplasma gondii lactate dehydrogenase LDH1 0.0812 0.9737 1
Loa Loa (eye worm) hypothetical protein 0.0812 0.9737 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Echinococcus granulosus lactate dehydrogenase protein 0.0812 0.9737 0.9728
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0371 0.0381
Trypanosoma cruzi malate dehydrogenase, putative 0.0316 0.3553 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0316 0.3553 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0574 0.0446
Schistosoma mansoni hypothetical protein 0.0205 0.217 0.2064
Echinococcus granulosus lactate dehydrogenase a 0.0812 0.9737 0.9728
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0316 0.3553 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0316 0.3553 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0338 0.0347
Schistosoma mansoni malate dehydrogenase 0.0812 0.9737 0.9734
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0316 0.3553 1
Schistosoma mansoni malate dehydrogenase 0.0316 0.3553 0.3466
Echinococcus granulosus L lactate dehydrogenase B chain 0.0812 0.9737 0.9728
Plasmodium vivax malate dehydrogenase, putative 0.0812 0.9737 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.6576 0.6456
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0316 0.3553 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0574 0.0589
Leishmania major malate dehydrogenase, putative 0.0812 0.9737 1
Echinococcus multilocularis lactate dehydrogenase a 0.0812 0.9737 0.9728
Schistosoma mansoni hypothetical protein 0.035 0.3982 0.3901
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.2448 0.2184
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0574 0.0589
Echinococcus granulosus geminin 0.0205 0.217 0.1895

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0067 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9362 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) 3.2643 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 141.2538 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
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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