Detailed information for compound 1284371

Basic information

Technical information
  • TDR Targets ID: 1284371
  • Name: 8-[3-(2,3-dimethylphenoxy)propoxy]quinoline
  • MW: 307.386 | Formula: C20H21NO2
  • H donors: 0 H acceptors: 1 LogP: 4.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1C)OCCCOc1cccc2c1nccc2
  • InChi: 1S/C20H21NO2/c1-15-7-3-10-18(16(15)2)22-13-6-14-23-19-11-4-8-17-9-5-12-21-20(17)19/h3-5,7-12H,6,13-14H2,1-2H3
  • InChiKey: KZCRYVKPDRVQCO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6441-67-4
  • SMR000195075
  • ZINC02983995
  • MLS000574411

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi Glycosyl hydrolases family 31 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
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
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
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 multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
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:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
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 %
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.9582 0.9541
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.13 0.5
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.1454 0.1518
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.1454 1
Loa Loa (eye worm) ICD-1 protein 0.0042 0.1378 0.1438
Echinococcus granulosus histone acetyltransferase KAT2B 0.0147 0.6937 0.664
Schistosoma mansoni alpha-glucosidase 0.0169 0.8127 0.7946
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0883 0.0922
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2069 0.1301
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.13 0.3998
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2069 0.1301
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.4657 0.486
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.1497 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2069 0.1301
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2069 0.1301
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.1378 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1454 0.9718
Leishmania major basic transcription factor 3a, putative 0.0042 0.1378 0.9476
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1454 0.9718
Onchocerca volvulus 0.0114 0.5178 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.679 0.7087
Loa Loa (eye worm) hypothetical protein 0.0071 0.291 0.3037
Entamoeba histolytica hypothetical protein 0.0078 0.3252 1
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.3252 0.2598
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0151 0.7162 0.6887
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2069 0.1301
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1454 0.9718
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.4657 0.486
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2069 0.216
Loa Loa (eye worm) hypothetical protein 0.0033 0.0883 0.0922
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.9582 0.9541
Echinococcus granulosus transcription factor btf3 0.0042 0.1378 0.0543
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.3252 0.2598
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1454 0.9718
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.1497 1
Entamoeba histolytica hypothetical protein 0.0078 0.3252 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0883 0.0922
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.1454 0.1518
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.3252 0.2598
Loa Loa (eye worm) hypothetical protein 0.0104 0.4657 0.486
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.9582 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.1497 1
Echinococcus multilocularis transcription factor btf3 0.0042 0.1378 0.0543
Brugia malayi MH2 domain containing protein 0.0144 0.679 0.7087
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.9582 0.9541
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.1378 0.9476
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.1378 0.9476
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.1378 0.9476
Schistosoma mansoni hypothetical protein 0.0078 0.3252 0.2598
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1378 0.9208
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.4657 0.486
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1378 0.9208
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2069 0.216
Entamoeba histolytica hypothetical protein 0.0042 0.1378 0.4238
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.1497 0.0673
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.1454 0.9718
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1454 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1454 1
Schistosoma mansoni hypothetical protein 0.0071 0.291 0.2223
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2069 0.1301
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.1454 0.0626
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0151 0.7162 0.6887
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1454 0.4473
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1454 0.4473
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.1497 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.679 0.7087
Schistosoma mansoni alpha-glucosidase 0.0169 0.8127 0.7946
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.1497 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0883 0.0922
Entamoeba histolytica hypothetical protein 0.0078 0.3252 1
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.1378 0.4238
Schistosoma mansoni alpha glucosidase 0.0044 0.1454 0.0626
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2069 0.1301
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1378 0.9208
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1454 0.9718
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.9582 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1454 0.9718
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.1454 0.0626
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.1454 0.6437
Brugia malayi acetyltransferase, GNAT family protein 0.0151 0.7162 0.7474
Entamoeba histolytica hypothetical protein 0.0078 0.3252 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1454 0.9718
Schistosoma mansoni transcription factor btf3 0.0042 0.1378 0.0543
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.291 0.3037
Trypanosoma brucei glucosidase, putative 0.0044 0.1454 1
Brugia malayi beta-NAC-like protein 0.0042 0.1378 0.1438
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.1454 0.9718
Brugia malayi hypothetical protein 0.0078 0.3252 0.3394
Loa Loa (eye worm) acetyltransferase 0.0151 0.7162 0.7474

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 16.238 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] 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) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 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) 13.1154 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) 17.7828 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) 18.3564 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) 23.1093 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) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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) 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.