Detailed information for compound 1442283

Basic information

Technical information
  • TDR Targets ID: 1442283
  • Name: methyl 1-(2,4-dimethylbenzoyl)indole-3-carbox ylate
  • MW: 307.343 | Formula: C19H17NO3
  • H donors: 0 H acceptors: 2 LogP: 4.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cn(c2c1cccc2)C(=O)c1ccc(cc1C)C
  • InChi: 1S/C19H17NO3/c1-12-8-9-14(13(2)10-12)18(21)20-11-16(19(22)23-3)15-6-4-5-7-17(15)20/h4-11H,1-3H3
  • InChiKey: HFZUKMAHKKINNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(2,4-dimethylphenyl)-oxomethyl]-3-indolecarboxylic acid methyl ester
  • 1-(2,4-dimethylbenzoyl)indole-3-carboxylic acid methyl ester
  • methyl 1-(2,4-dimethylphenyl)carbonylindole-3-carboxylate
  • MLS000625059
  • SMR000293835
  • methyl 1-(2,4-dimethylbenzoyl)-1H-indole-3-carboxylate
  • ZINC00514548
  • STK225626

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 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 apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 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 [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein 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 isocitrate dehydrogenase 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 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 Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma congolense isocitrate dehydrogenase, 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative 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
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic 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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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 guanine nucleotide binding protein G(s) subunit 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
Toxoplasma gondii 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
Toxoplasma gondii 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 vivax isocitrate dehydrogenase [NADP], mitochondrial, 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
Theileria parva isocitrate dehydrogenase (NADP+), 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
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani 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
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 knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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
Brugia malayi Fatty acid desaturase family protein 0.0061 0.0834 0.0949
Plasmodium falciparum stearoyl-CoA desaturase 0.0463 0.8789 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0061 0.0834 0.0834
Trypanosoma brucei delta-4 fatty acid desaturase 0.0061 0.0834 0.0834
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0814 0.0927
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0061 0.0834 0.0834
Brugia malayi hypothetical protein 0.0182 0.3234 0.368
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0061 0.0834 1
Onchocerca volvulus 0.0524 1 1
Mycobacterium ulcerans electron transfer protein FdxB 0.0061 0.0834 0.5
Mycobacterium ulcerans hypothetical protein 0.0061 0.0834 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0814 0.0927
Leishmania major fatty acid desaturase, putative 0.0061 0.0834 0.0834
Entamoeba histolytica hypothetical protein 0.0043 0.0483 0.5
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0061 0.0834 0.2272
Onchocerca volvulus 0.0182 0.3234 0.2618
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0716 0.195
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0061 0.0834 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0061 0.0834 0.5
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0463 0.8789 1
Entamoeba histolytica hypothetical protein 0.0043 0.0483 0.5
Brugia malayi N-terminal motif family protein 0.0218 0.3938 0.448
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0814 0.0927
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0061 0.0834 0.0834
Leishmania major fatty acid desaturase, putative 0.0061 0.0834 0.0834
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0061 0.0834 0.0834
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0002
Schistosoma mansoni fatty acid desaturase 0.0061 0.0834 0.2272
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0814 0.0927
Loa Loa (eye worm) hypothetical protein 0.0061 0.0834 0.0949
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0716 0.0815
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0001 0.0002
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.3938 0.3386
Mycobacterium tuberculosis Probable conserved membrane protein 0.0061 0.0834 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0002
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0483 0.1315
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0437 0.0498
Loa Loa (eye worm) hypothetical protein 0.0218 0.3938 0.448
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0001 0.0001
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0061 0.0834 0.0834
Echinococcus granulosus Fatty acid desaturase type 1 0.0061 0.0834 0.2272
Mycobacterium ulcerans hypothetical protein 0.0061 0.0834 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0483 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.0061 0.0834 0.0834
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0716 0.195
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0001 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0716 0.195
Leishmania major delta-6 fatty acid desaturase 0.0061 0.0834 0.0834
Leishmania major delta-12 fatty acid desaturase 0.0061 0.0834 0.0834
Brugia malayi isocitrate dehydrogenase 0.0019 0.0001 0.0001
Trypanosoma cruzi fatty acid desaturase, putative 0.0524 1 1
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0061 0.0834 0.5
Brugia malayi hypothetical protein 0.0043 0.0483 0.0549
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0061 0.0834 0.2272
Brugia malayi Fatty acid desaturase family protein 0.0061 0.0834 0.0949
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0061 0.0834 0.0834
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0716 0.195
Loa Loa (eye worm) fatty acid desaturase 0.0061 0.0834 0.0949
Entamoeba histolytica hypothetical protein 0.0043 0.0483 0.5
Onchocerca volvulus 0.0524 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.0437 0.1191
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0061 0.0834 0.5
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0061 0.0834 0.5
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0061 0.0834 0.0834
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0716 0.195
Loa Loa (eye worm) acyl-CoA desaturase 0.0463 0.8789 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0061 0.0834 0.0834
Trypanosoma brucei fatty acid desaturase, putative 0.0524 1 1
Brugia malayi Delta5 fatty acid desaturase 0.0061 0.0834 0.0949
Leishmania major fatty-acid desaturase, putative 0.0524 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0716 0.195
Leishmania major delta-5 fatty acid desaturase 0.0061 0.0834 0.0834
Schistosoma mansoni hypothetical protein 0.0205 0.3673 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0463 0.8789 0.8789
Schistosoma mansoni hypothetical protein 0.0205 0.3673 1
Loa Loa (eye worm) FAT-3 protein 0.0061 0.0834 0.0949
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0061 0.0834 0.0834
Echinococcus granulosus geminin 0.0205 0.3673 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0001 0.0002
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0001 0.0001
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0061 0.0834 0.2272
Brugia malayi acyl-CoA desaturase 0.0463 0.8789 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0002
Leishmania major delta-4 fatty acid desaturase 0.0061 0.0834 0.0834
Loa Loa (eye worm) fatty acid desaturase 0.0061 0.0834 0.0949
Schistosoma mansoni hypothetical protein 0.0043 0.0483 0.1315
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0061 0.0834 0.0834
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0716 0.0815
Trypanosoma cruzi fatty acid desaturase, putative 0.0061 0.0834 0.0834
Loa Loa (eye worm) hypothetical protein 0.0041 0.0437 0.0498
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0716 0.195
Loa Loa (eye worm) hypothetical protein 0.0182 0.3234 0.368
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0061 0.0834 0.2272
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0483 0.1315
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0061 0.0834 0.0834
Trypanosoma cruzi fatty acid desaturase, putative 0.0463 0.8789 0.8789
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0061 0.0834 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0483 0.1315
Echinococcus multilocularis geminin 0.0205 0.3673 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0002

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2643 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) 4.1095 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) 4.4668 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 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) 6.3096 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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) 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) 11.6891 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) 12.5893 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 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 (binding) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 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) 89.1251 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 158.4893 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.