Detailed information for compound 1444359

Basic information

Technical information
  • TDR Targets ID: 1444359
  • Name: 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfany l-3-prop-2-enylthieno[3,2-e]pyrimidin-4-one
  • MW: 376.516 | Formula: C17H16N2O2S3
  • H donors: 0 H acceptors: 2 LogP: 4.73 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCC(=O)c2cccs2)nc2c(c1=O)cc(s2)CC
  • InChi: 1S/C17H16N2O2S3/c1-3-7-19-16(21)12-9-11(4-2)24-15(12)18-17(19)23-10-13(20)14-6-5-8-22-14/h3,5-6,8-9H,1,4,7,10H2,2H3
  • InChiKey: YRRDWZGAEKXPDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-allyl-6-ethyl-2-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-thieno[3,2-e]pyrimidin-4-one
  • 3-allyl-6-ethyl-2-[[2-oxo-2-(2-thienyl)ethyl]thio]-4-thieno[3,2-e]pyrimidinone
  • 3-allyl-6-ethyl-2-[[2-keto-2-(2-thienyl)ethyl]thio]thieno[3,2-e]pyrimidin-4-one
  • 6-ethyl-2-(2-oxo-2-thiophen-2-yl-ethyl)sulfanyl-3-prop-2-enyl-thieno[3,2-e]pyrimidin-4-one
  • ZINC00909638
  • STOCK2S-89369
  • MLS000111891
  • SMR000107810
  • BAS 03373700
  • ChemDiv1_009844

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Mitochondrial 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 serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative 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
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Mitochondrial aldehyde dehydrogenase 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0214 0.1289 0.1266
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0125 1
Brugia malayi Carboxylesterase family protein 0.1268 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1879 0.1857
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0125 0.0098
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0125 0.0125
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1268 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0125 0.0125
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0214 0.1289 0.1266
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0125 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0125 0.0098
Onchocerca volvulus 0.0214 0.1289 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0027 0.5
Loa Loa (eye worm) hypothetical protein 0.0214 0.1289 0.1275
Onchocerca volvulus 0.0214 0.1289 1
Onchocerca volvulus 0.0214 0.1289 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.0742 0.5751
Echinococcus multilocularis acetylcholinesterase 0.1268 1 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.0742 0.5751
Schistosoma mansoni acetylcholinesterase 0.0214 0.1289 0.1289
Echinococcus granulosus geminin 0.0205 0.121 0.1186
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0214 0.1289 1
Loa Loa (eye worm) carboxylesterase 0.1268 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0214 0.1289 0.1289
Loa Loa (eye worm) hypothetical protein 0.0148 0.0742 0.0727
Brugia malayi hypothetical protein 0.0148 0.0742 0.0742
Onchocerca volvulus 0.0214 0.1289 1
Brugia malayi hypothetical protein 0.0286 0.1879 0.1879
Mycobacterium tuberculosis Carboxylesterase LipT 0.0214 0.1289 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0027 0.5
Brugia malayi Carboxylesterase family protein 0.0214 0.1289 0.1289
Echinococcus granulosus acetylcholinesterase 0.1268 1 1
Loa Loa (eye worm) carboxylesterase 0.0214 0.1289 0.1275
Schistosoma mansoni hypothetical protein 0.0205 0.121 0.121
Trypanosoma brucei protein kinase, putative 0.0062 0.0027 0.5
Echinococcus granulosus neuropeptide s receptor 0.056 0.4151 0.4135
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0214 0.1289 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0214 0.1289 0.1289
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0027 0.5
Schistosoma mansoni gliotactin 0.0214 0.1289 0.1289
Echinococcus granulosus para nitrobenzyl esterase 0.0214 0.1289 0.1266
Schistosoma mansoni hypothetical protein 0.0205 0.121 0.121
Brugia malayi Carboxylesterase family protein 0.0214 0.1289 0.1289
Echinococcus multilocularis neuroligin 0.0214 0.1289 0.1266
Brugia malayi Carboxylesterase family protein 0.0214 0.1289 0.1289
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0027 0.0011
Loa Loa (eye worm) carboxylesterase 0.0214 0.1289 0.1275
Echinococcus granulosus neuropeptide receptor A26 0.056 0.4151 0.4135
Loa Loa (eye worm) hypothetical protein 0.1268 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1268 1 1
Echinococcus multilocularis acetylcholinesterase 0.1268 1 1
Brugia malayi MAP kinase sur-1 0.0062 0.0027 0.0027
Brugia malayi Carboxylesterase family protein 0.0214 0.1289 0.1289
Loa Loa (eye worm) hypothetical protein 0.1268 1 1
Echinococcus multilocularis neuropeptide s receptor 0.056 0.4151 0.4135
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0016 0.0016
Echinococcus multilocularis BC026374 protein (S09 family) 0.0214 0.1289 0.1266
Loa Loa (eye worm) hypothetical protein 0.0214 0.1289 0.1275
Echinococcus granulosus BC026374 protein S09 family 0.0214 0.1289 0.1266
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0027 0.0027
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0214 0.1289 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0214 0.1289 0.1266
Loa Loa (eye worm) hypothetical protein 0.0214 0.1289 0.1275
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1879 0.1857
Loa Loa (eye worm) hypothetical protein 0.0286 0.1879 0.1866
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0214 0.1289 0.1289
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0027 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0214 0.1289 0.1289
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0027 0.5
Echinococcus granulosus acetylcholinesterase 0.1268 1 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.1289 0.1275
Echinococcus multilocularis neuropeptide receptor A26 0.056 0.4151 0.4135
Onchocerca volvulus 0.0214 0.1289 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.1289 0.1275
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0214 0.1289 0.1289
Loa Loa (eye worm) hypothetical protein 0.0214 0.1289 0.1275
Loa Loa (eye worm) hypothetical protein 0.0148 0.0742 0.0727
Echinococcus multilocularis carboxylesterase 5A 0.1268 1 1
Echinococcus granulosus neuroligin 0.0214 0.1289 0.1266
Loa Loa (eye worm) hypothetical protein 0.0214 0.1289 0.1275
Brugia malayi follicle stimulating hormone receptor 0.0283 0.1855 0.1855
Brugia malayi hypothetical protein 0.0214 0.1289 0.1289
Echinococcus granulosus carboxylesterase 5A 0.1268 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0214 0.1289 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0016 0.0016
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0027 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0214 0.1289 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0283 0.1855 0.1841
Echinococcus multilocularis geminin 0.0205 0.121 0.1186

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 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) 6.3096 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) = 15.8489 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 Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS for antagonists of the Thyroid Stimulation Hormone Receptor: Hit Validation in Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 79.4328 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) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 151.0141 uM PUBCHEM_BIOASSAY: qHTS for antagonists of the Thyroid Stimulation Hormone Receptor: Hit Validation in HTRF Activity in a Luteinizing Hormone Receptor Cell Line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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