Detailed information for compound 1548878

Basic information

Technical information
  • TDR Targets ID: 1548878
  • Name: N-[1-methyl-2-(morpholin-4-ylmethyl)benzimida zol-5-yl]-2-(phenoxy)acetamide
  • MW: 380.44 | Formula: C21H24N4O3
  • H donors: 1 H acceptors: 2 LogP: 1.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)nc(n2C)CN1CCOCC1)COc1ccccc1
  • InChi: 1S/C21H24N4O3/c1-24-19-8-7-16(22-21(26)15-28-17-5-3-2-4-6-17)13-18(19)23-20(24)14-25-9-11-27-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,22,26)
  • InChiKey: MXINVNPZLBZILI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-methyl-2-(morpholinomethyl)benzimidazol-5-yl]-2-(phenoxy)acetamide
  • N-[1-methyl-2-(morpholinomethyl)-5-benzimidazolyl]-2-(phenoxy)acetamide
  • N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]-2-(phenoxy)ethanamide
  • A3651/0154893
  • MLS000718742
  • SMR000291010
  • BAS 09859570
  • N-(1-Methyl-2-morpholin-4-ylmethyl-1H-benzoimidazol-5-yl)-2-phenoxy-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0047 0.0047
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0248 0.1594 0.158
Brugia malayi Pepsin A precursor 0.0019 0.0016 0.0016
Echinococcus multilocularis lamin 0.0031 0.01 0.0084
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0255 0.0239
Echinococcus multilocularis BC026374 protein (S09 family) 0.0248 0.1594 0.158
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0369 0.0353
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0047 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0047 0.0047
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0026 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0047 0.0031
Echinococcus granulosus lamin 0.0031 0.01 0.0084
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0265 0.1714 0.1714
Onchocerca volvulus 0.0024 0.0047 0.0196
Loa Loa (eye worm) acetylcholinesterase 1 0.1467 1 1
Onchocerca volvulus 0.0175 0.109 0.6806
Brugia malayi hypothetical protein 0.0019 0.0016 0.0016
Onchocerca volvulus 0.0031 0.01 0.053
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0248 0.1594 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0026
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0047 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0047 0.0047
Brugia malayi hypothetical protein 0.0248 0.1594 0.1594
Schistosoma mansoni gliotactin 0.0248 0.1594 0.158
Echinococcus multilocularis acetylcholinesterase 0.1467 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0248 0.1594 1
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0123 0.0731 0.0716
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0369 0.0353
Brugia malayi aspartic protease BmAsp-1, identical 0.0019 0.0016 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0047 0.0047
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0255 0.0255
Echinococcus granulosus acetylcholinesterase 0.1467 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0248 0.1594 0.158
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0074 0.0305
Entamoeba histolytica hypothetical protein 0.0043 0.0184 1
Schistosoma mansoni lamin 0.0031 0.01 0.0084
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0026
Schistosoma mansoni memapsin-2 (A01 family) 0.0475 0.3158 0.3147
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0047 0.0031
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0047 0.0031
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0047 0.0031
Loa Loa (eye worm) hypothetical protein 0.0019 0.0016 0.0016
Brugia malayi Carboxylesterase family protein 0.0248 0.1594 0.1594
Loa Loa (eye worm) aspartyl protease 6 0.0019 0.0016 0.0016
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0074 0.0305
Onchocerca volvulus 0.0248 0.1594 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0019 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0047 0.0047
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0248 0.1594 0.158
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0248 0.1594 0.158
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0047 0.0047
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0047 0.0031
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0047 0.0031
Loa Loa (eye worm) hypothetical protein 0.0031 0.0096 0.0096
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1467 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0074 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0047 0.0031
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0047 0.0031
Loa Loa (eye worm) hypothetical protein 0.0248 0.1594 0.1594
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0026 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0248 0.1594 1
Echinococcus multilocularis acetylcholinesterase 0.1467 1 1
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0019 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.1467 1 1
Onchocerca volvulus 0.0248 0.1594 1
Schistosoma mansoni hypothetical protein 0.0043 0.0184 0.0168
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.01 0.01
Entamoeba histolytica hypothetical protein 0.0043 0.0184 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0255 0.0239
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0369 0.2188
Echinococcus multilocularis neuroligin 0.0248 0.1594 0.158
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.01 0.01
Brugia malayi Carboxylesterase family protein 0.0248 0.1594 0.1594
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0369 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0047 0.0031
Entamoeba histolytica hypothetical protein 0.0043 0.0184 1
Echinococcus multilocularis lamin dm0 0.0031 0.01 0.0084
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0026
Onchocerca volvulus 0.0248 0.1594 1
Brugia malayi hypothetical protein 0.0175 0.109 0.109
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0047 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0047 0.0047
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0047 0.0031
Echinococcus granulosus neuroligin 0.0248 0.1594 0.158
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0255 0.0239
Echinococcus granulosus lamin dm0 0.0031 0.01 0.0084
Trichomonas vaginalis spcc417.12 protein, putative 0.0248 0.1594 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0047 0.0047
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0074 0.0305
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0369 0.2226
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0184 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0047 0.0047
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0074 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0047 0.0047
Brugia malayi hypothetical protein 0.0019 0.0016 0.0016
Echinococcus granulosus intermediate filament protein 0.0031 0.01 0.0084
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.0047 0.0196
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.0047 0.0196
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0255 0.0239
Echinococcus multilocularis musashi 0.0031 0.01 0.0084
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0047 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0047 0.0047
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0047 0.0031
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0047 0.0031
Loa Loa (eye worm) hypothetical protein 0.0248 0.1594 0.1594
Loa Loa (eye worm) hypothetical protein 0.0031 0.01 0.01
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0074 0.0352
Schistosoma mansoni intermediate filament proteins 0.0031 0.01 0.0084
Brugia malayi nuclear hormone receptor 0.0024 0.0047 0.0047
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0337 0.2206 0.2206
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0047 0.0031
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0047 0.0031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0255 0.0239
Echinococcus granulosus carboxylesterase 5A 0.1467 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0184 0.0168
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.0047 0.0196
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0047 0.0031
Brugia malayi Carboxylesterase family protein 0.0248 0.1594 0.1594
Loa Loa (eye worm) hypothetical protein 0.0019 0.0016 0.0016
Mycobacterium tuberculosis Carboxylesterase LipT 0.0248 0.1594 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0026 0.0049
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0248 0.1594 0.158
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0047 0.0031
Echinococcus multilocularis para nitrobenzyl esterase 0.0248 0.1594 0.158
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0047 0.0031
Schistosoma mansoni lamin 0.0031 0.01 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0047 0.0047
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0047 0.0031
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0248 0.1594 0.1594
Loa Loa (eye worm) hypothetical protein 0.1467 1 1
Onchocerca volvulus 0.0031 0.01 0.053
Brugia malayi intermediate filament protein 0.0031 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0175 0.109 0.109
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0369 0.0353
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0047 0.0031
Schistosoma mansoni coup transcription factor 0.0024 0.0047 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0047 0.0047
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0369 0.0353
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0047 0.0047
Echinococcus multilocularis carboxylesterase 5A 0.1467 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0047 0.0031
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0248 0.1594 0.1594
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0047
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0047 0.0047
Schistosoma mansoni acetylcholinesterase 0.0248 0.1594 0.158
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0047 0.0047
Brugia malayi nuclear receptor NHR-88 0.0024 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0143 0.0868 0.0868
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0047 0.0031
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0369 0.2188
Entamoeba histolytica hypothetical protein 0.0043 0.0184 1
Brugia malayi hypothetical protein 0.0043 0.0184 0.0184
Loa Loa (eye worm) hypothetical protein 0.0248 0.1594 0.1594
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0047
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0074 0.0305
Brugia malayi ecdysteroid receptor 0.0024 0.0047 0.0047
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0047 0.0031
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0248 0.1594 0.158
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0248 0.1594 1
Brugia malayi Carboxylesterase family protein 0.1467 1 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0074 0.0074
Loa Loa (eye worm) carboxylesterase 0.1467 1 1
Onchocerca volvulus 0.0248 0.1594 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0047 0.0031
Onchocerca volvulus 0.0248 0.1594 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0027 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0255 0.0239
Brugia malayi Eukaryotic aspartyl protease family protein 0.0019 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0047
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0047 0.0031
Brugia malayi aspartic protease BmAsp-2, identical 0.0019 0.0016 0.0016
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0369 0.2188
Loa Loa (eye worm) hypothetical protein 0.0071 0.0376 0.0376
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0255 0.0239
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0074 0.0352
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0047 0.0031
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0047 0.0047
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0047 0.0047
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0074 0.0074
Loa Loa (eye worm) carboxylesterase 0.0248 0.1594 0.1594
Brugia malayi steroid hormone receptor 0.0024 0.0047 0.0047
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0369 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0184 0.0168
Loa Loa (eye worm) intermediate filament protein 0.0031 0.01 0.01
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0047 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0047 0.0047
Loa Loa (eye worm) carboxylesterase 0.0248 0.1594 0.1594
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0074 0.0305
Echinococcus granulosus acetylcholinesterase 0.1467 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0074 0.0305
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0026 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0248 0.1594 0.158
Echinococcus granulosus para nitrobenzyl esterase 0.0248 0.1594 0.158
Loa Loa (eye worm) hypothetical protein 0.0027 0.0074 0.0074
Brugia malayi Carboxylesterase family protein 0.0248 0.1594 0.1594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0047 0.0047
Mycobacterium ulcerans hypothetical protein 0.0027 0.0074 0.0305
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0047 0.0031
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0027 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0019 0.0016 0.0016
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0074 0.0305
Onchocerca volvulus 0.0027 0.0074 0.0365
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0047
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0047 0.0031
Loa Loa (eye worm) hypothetical protein 0.0248 0.1594 0.1594
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0047
Echinococcus granulosus BC026374 protein S09 family 0.0248 0.1594 0.158
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0047 0.0031
Loa Loa (eye worm) hypothetical protein 0.0248 0.1594 0.1594

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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) 5.8048 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) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 56.2341 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) 100 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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