Detailed information for compound 1476053

Basic information

Technical information
  • TDR Targets ID: 1476053
  • Name: 3-[(4,5-dimethylthiophene-3-carbonyl)amino]-1 -(oxolan-2-ylmethyl)thiourea
  • MW: 313.439 | Formula: C13H19N3O2S2
  • H donors: 2 H acceptors: 1 LogP: 2.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=NNC(=O)c1csc(c1C)C)NCC1CCCO1
  • InChi: 1S/C13H19N3O2S2/c1-8-9(2)20-7-11(8)12(17)15-16-13(19)14-6-10-4-3-5-18-10/h7,10H,3-6H2,1-2H3,(H,15,17)(H2,14,16,19)
  • InChiKey: ORWHXNOLPCVLAI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(4,5-dimethylthiophene-3-carbonyl)amino]-1-(tetrahydrofuran-2-ylmethyl)thiourea
  • 3-[[(4,5-dimethyl-3-thienyl)-oxomethyl]amino]-1-(2-tetrahydrofuranylmethyl)thiourea
  • 3-[(4,5-dimethylthiophene-3-carbonyl)amino]-1-(tetrahydrofurfuryl)thiourea
  • 3-[(4,5-dimethylthiophen-3-yl)carbonylamino]-1-(oxolan-2-ylmethyl)thiourea
  • 2-[(4,5-dimethyl-3-thienyl)carbonyl]-N-(tetrahydro-2-furanylmethyl)hydrazinecarbothioamide
  • AK-968/41171441
  • SMR000159997
  • IVK/1019788
  • MLS000544590

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
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
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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 mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0009 0 0.5
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0035 0.2197
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0158 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0725 0.0725
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0016 0.0016
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0016 0.0016
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0016 0.0016
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0016 0.0016
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0016 0.0016
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0016 0.0016
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0016 0.0016
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0158 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0009 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0211 0.0211
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0016 0.0016
Echinococcus granulosus calcium release activated calcium channel 0.2226 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0035 0.0035
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0158 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0849 0.0849
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0016 0.0016
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0016 0.0016
Leishmania major glycosyl hydrolase-like protein 0.0016 0.0035 0.2197
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0075 0.0301 0.0301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0016 0.0016
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0009 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0211 0.0211
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0009 0 0.5
Schistosoma mansoni coup transcription factor 0.0012 0.0016 0.0016
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0035 0.2197
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0009 0 0.5
Brugia malayi olfactory channel protein osm-9 0.0075 0.0301 0.0301
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0104 0.0104
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0016 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0009 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0016 0.0016
Mycobacterium leprae putative cytochrome p450 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0009 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0016 0.0016
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0158 0.0158
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0016 0.0016
Schistosoma mansoni Protein orai-1 0.2226 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0016 0.0016
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0016 0.0016
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0158 1
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0035 0.0399
Schistosoma mansoni Protein orai-1 0.2226 1 1
Trypanosoma brucei glucosidase, putative 0.0044 0.0158 1
Onchocerca volvulus 0.0114 0.0475 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0009 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0016 0.0016
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0016 0.0016
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0016 0.0016
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0016 0.0016
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0009 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0009 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0016 0.0016
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0016 0.0016
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0158 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Schistosoma mansoni alpha-glucosidase 0.0169 0.0725 0.0725
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0158 0.0158
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0009 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0016 0.0016
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0158 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0009 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0016 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0009 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0009 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0849 0.0849
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0009 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0009 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0016 0.0016
Echinococcus multilocularis calcium release activated calcium channel 0.2226 1 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.2226 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0849 0.0849
Brugia malayi Cytochrome P450 family protein 0.0032 0.0104 0.0104
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0009 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0211 0.0211
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0016 0.0016
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0016 0.0016
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0158 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0009 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0009 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0016 0.0016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0211 0.0211
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0009 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0016 0.0016
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0016 0.0016
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0158 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0009 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0016 0.0016
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0016 0.0016
Brugia malayi nuclear receptor NHR-88 0.0012 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0009 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0158 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0849 0.0849
Schistosoma mansoni alpha glucosidase 0.0044 0.0158 0.0158
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0158 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0009 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0211 0.0211
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0016 0.0016
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0016 0.0016
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0158 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0016 0.0016
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0158 0.0158
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0009 0 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0158 0.0158
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0009 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0016 0.0016
Mycobacterium leprae Conserved hypothetical protein 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0009 0 0.5
Brugia malayi steroid hormone receptor 0.0012 0.0016 0.0016
Brugia malayi ecdysteroid receptor 0.0012 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0016 0.0016
Brugia malayi nuclear hormone receptor 0.0012 0.0016 0.0016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0211 0.0211
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0849 0.0849
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0035 0.2197
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0016 0.0016
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0009 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0158 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0016 0.0016
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0158 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0009 0 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0158 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0009 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0016 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0009 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0158 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0211 0.0211
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0009 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0016 0.0016

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 6.309573445 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 11.22018454 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 2.2387 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) 4.1475 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) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) = 9.9237 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 70.7946 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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