Detailed information for compound 1414449

Basic information

Technical information
  • TDR Targets ID: 1414449
  • Name: 3,5-dichloro-N-[(2,6-dichlorophenyl)methylide neamino]pyridin-4-amine
  • MW: 335.016 | Formula: C12H7Cl4N3
  • H donors: 1 H acceptors: 1 LogP: 4.98 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cncc(c1N/N=C/c1c(Cl)cccc1Cl)Cl
  • InChi: 1S/C12H7Cl4N3/c13-8-2-1-3-9(14)7(8)4-18-19-12-10(15)5-17-6-11(12)16/h1-6H,(H,17,19)/b18-4+
  • InChiKey: NRQUAVYOAZGFFD-JJPRUIFNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,5-dichloro-N-[(2,6-dichlorophenyl)methyleneamino]pyridin-4-amine
  • 3,5-dichloro-N-[(2,6-dichlorophenyl)methyleneamino]-4-pyridinamine
  • [(2,6-dichlorobenzylidene)amino]-(3,5-dichloro-4-pyridyl)amine
  • MLS000861232
  • SMR000460016
  • 2,6-dichlorobenzaldehyde 1-(3,5-dichloro-4-pyridyl)hydrazone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens NADPH oxidase 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Dual oxidase homolog Get druggable targets OG5_127219 All targets in OG5_127219
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Blistered cuticle protein 3 Get druggable targets OG5_127219 All targets in OG5_127219
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) blistered cuticle protein 3 Get druggable targets OG5_127219 All targets in OG5_127219
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
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
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
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 berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127219 All targets in OG5_127219
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
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 %
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
Entamoeba histolytica hypothetical protein 0.0043 0.012 0.5
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.2131 1 1
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0053 0.0166 0.0161
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0005 0.0005
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.2131 1 1
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0053 0.0166 0.0161
Brugia malayi hypothetical protein 0.0182 0.0778 0.0774
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.2558 0.2554
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.012 0.0116
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0561 0.2572 0.2568
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.011 0.0105
Schistosoma mansoni hypothetical protein 0.0205 0.0883 0.0879
Entamoeba histolytica hypothetical protein 0.0043 0.012 0.5
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.2131 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0176 0.0171
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0176 0.0171
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.2131 1 1
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0053 0.0166 0.0161
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0053 0.0166 0.0166
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0053 0.0166 0.0166
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0053 0.0166 0.0166
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.02 0.0195
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.183 0.8576 1
Entamoeba histolytica hypothetical protein 0.0043 0.012 0.5
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.183 0.8576 1
Brugia malayi ribonucleotide reductase 2 0.0053 0.0166 0.0161
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0053 0.0166 0.0166
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0053 0.0166 0.0161
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0053 0.0166 0.0161
Schistosoma mansoni hypothetical protein 0.0043 0.012 0.0116
Onchocerca volvulus 0.0182 0.0778 1
Brugia malayi Blistered cuticle protein 3 0.0088 0.033 0.0325
Schistosoma mansoni hypothetical protein 0.0041 0.011 0.0105
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0176 0.0171
Echinococcus granulosus geminin 0.0205 0.0883 0.0879
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0005 0.0005
Brugia malayi hypothetical protein 0.0043 0.012 0.0116
Echinococcus granulosus neuropeptide s receptor 0.0558 0.2558 0.2554
Leishmania major ferric reductase, putative 0.0041 0.011 0.0105
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.183 0.8576 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.02 0.0195
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0176 0.0171
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0053 0.0166 0.0161
Mycobacterium leprae conserved hypothetical protein 0.0301 0.1339 0.1561
Chlamydia trachomatis transcriptional repressor NrdR 0.0301 0.1339 0.1193
Loa Loa (eye worm) hypothetical protein 0.0047 0.0135 0.013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0176 0.0171
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0041 0.011 0.011
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0176 0.0171
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.012 0.0116
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.183 0.8576 1
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0053 0.0166 0.0188
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.2131 1 1
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.2131 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0176 0.0171
Loa Loa (eye worm) blistered cuticle protein 3 0.0088 0.033 0.0325
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0053 0.0166 0.0161
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0053 0.0166 0.0188
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.2131 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.011 0.0105
Echinococcus multilocularis geminin 0.0205 0.0883 0.0879
Mycobacterium ulcerans transcriptional regulator NrdR 0.0301 0.1339 0.1561
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0053 0.0166 0.0166
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.2558 0.2554
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.2131 1 1
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.2131 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.02 0.0195
Loa Loa (eye worm) hypothetical protein 0.0182 0.0778 0.0774
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0005 0.0005
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.2558 0.2554
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.183 0.8576 1
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0053 0.0166 0.0161
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0041 0.011 0.0105
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.012 0.0116
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0041 0.011 0.0105
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0658 0.3029 0.3528
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.0301 0.1339 0.1556
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0053 0.0166 0.0166
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0176 0.0171
Schistosoma mansoni hypothetical protein 0.0205 0.0883 0.0879
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0053 0.0166 0.0161
Entamoeba histolytica hypothetical protein 0.0043 0.012 0.5
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.2131 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0005 0.0005
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.2131 1 1
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.2131 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4549 0.4546
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0176 0.0171
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.02 0.0195

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 13.699 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 76.584 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT-LT-ST RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Compounds Cytotoxic to BJeLR RAS-Dependent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
IC50 (functional) > 17 um PUBCHEM_BIOASSAY: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): Purchased analogs. (Class of assay: confirmatory) [Related pubchem assays: 2752 (Primary screen (NOX1 inhibitors, synthesized analogs set 2)), 2532 (Dose response (NOX1 inhibitors, HEK/293 cells)), 2664 (Primary screen (NOX1 inhibitors, synthesized analogs)), 1792 (Primary Screen (NOX1 inhibitors)), 2556 (Counterscreen (Xanthine oxidase inhibitors)), 2538 (Dose response screen (NOX1 inhibitors)), 1796 (Summary AID (NOX1 inhibitors)), 2773 (Primary screen (NOX1 inhibitors, synthesized analogs set 3)), 2545 (Confirmation screen (NOX1 inhibitors, HEK/293 cells)), 2539 (Counterscreen (NOX2, NOX3, NOX4 inhibitors)), 2541 (Confirmation screen (NOX1 inhibitors)), 1823 (Counterscreen (luminal))] ChEMBL. No reference
Potency (functional) 0.8913 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) 1.7783 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.3109 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) 2.5929 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) 2.6169 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) 3.5481 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5104 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) 6.5131 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) 8.1995 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) = 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) 11.2202 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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) 35.4813 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) 70.7946 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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