Detailed information for compound 868533

Basic information

Technical information
  • TDR Targets ID: 868533
  • Name: 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimida zol-1-yl]-3-(2-methylphenoxy)propan-2-ol
  • MW: 408.536 | Formula: C24H32N4O2
  • H donors: 1 H acceptors: 1 LogP: 3.31 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(Cn1c(=N)n(c2c1cccc2)CCN1CCCCC1)COc1ccccc1C
  • InChi: 1S/C24H32N4O2/c1-19-9-3-6-12-23(19)30-18-20(29)17-28-22-11-5-4-10-21(22)27(24(28)25)16-15-26-13-7-2-8-14-26/h3-6,9-12,20,25,29H,2,7-8,13-18H2,1H3
  • InChiKey: JSWWJFBOMZWQSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-imino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
  • 1-[2-imino-3-[2-(1-piperidyl)ethyl]-1-benzimidazolyl]-3-(2-methylphenoxy)propan-2-ol
  • 1-[2-imino-3-(2-piperidinoethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
  • STOCK4S-16293
  • NCGC00101837-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0058 0.0402 0.0912
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0402 0.3721
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0094 0.108 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0138 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4545 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0402 0.3721
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0138 0.1277
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0083 0.0872 0.7793
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.1277
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0444 0.3242
Loa Loa (eye worm) hypothetical protein 0.006 0.0444 0.4106
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0058 0.0402 0.0268
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0347 0.3213
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.1277
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0058 0.0402 0.0268
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0568 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.061 0.5646
Echinococcus multilocularis tumor protein p63 0.0408 0.6995 0.6953
Mycobacterium ulcerans lipase LipD 0.0043 0.0138 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0094 0.108 1
Onchocerca volvulus 0.006 0.0444 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0819 0.7579
Loa Loa (eye worm) phosphatidylinositol 3 0.0058 0.0402 0.3721
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0402 0.3721
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0138 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0611 0.5654
Toxoplasma gondii ABC1 family protein 0.0043 0.0138 0.1685
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0058 0.0402 0.0912
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0058 0.0402 0.2801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0664 0.6142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.061 0.5646
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0094 0.108 0.3038
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0083 0.0872 0.2367
Giardia lamblia GTOR 0.0094 0.108 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0611 0.5654
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0819 0.7579
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.1277
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.1277
Mycobacterium leprae Probable lipase LipE 0.0043 0.0138 0.5
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0094 0.108 0.0956
Mycobacterium ulcerans hypothetical protein 0.0043 0.0138 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0138 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0872 0.8067
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0094 0.108 0.3256
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.1277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.061 0.5646
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0872 0.8067
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0138 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0872 0.8067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0664 0.6142
Leishmania major hypothetical protein, conserved 0.0208 0.3241 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0347 0.3213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0872 0.8067
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0138 0.1277
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0819 0.7579
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0819 0.7579
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0094 0.108 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0138 0.1277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0611 0.5654
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0138 0.1277
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0058 0.0402 0.0851
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0094 0.108 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.1277
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0138 0.1277
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0094 0.108 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0347 0.3213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0402 0.3721
Trypanosoma cruzi hypothetical protein, conserved 0.0197 0.3032 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0094 0.108 0.0956
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0058 0.0402 0.2801
Loa Loa (eye worm) beta-lactamase 0.0043 0.0138 0.1277
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0094 0.108 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.108 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0611 0.5654
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0094 0.108 0.3256
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.108 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0047 0.0209 0.0752
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0058 0.0402 0.2801
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0138 0.1277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.108 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0094 0.108 0.3038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0402 0.3721
Echinococcus granulosus tumor protein p63 0.0408 0.6995 0.6953
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0872 0.8067
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0058 0.0402 0.2801
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0819 0.7579
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0819 0.7579
Toxoplasma gondii target of rapamycin (TOR), putative 0.008 0.0819 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.0609 0.5634
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0094 0.108 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0058 0.0402 0.0851
Trypanosoma cruzi target of rapamycin kinase 3 0.0083 0.0872 0.2537
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0138 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.047 0.4346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.04 0.3701
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0819 0.7579
Trichomonas vaginalis esterase, putative 0.0043 0.0138 0.1277

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 4.76 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) = 5.4 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
Percent growth inhibition (functional) = 85.4 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428
Percent growth inhibition (functional) = 91.9 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 5.8479 uM PUBCHEM_BIOASSAY: IN Cell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID493208] ChEMBL. No reference
Potency (functional) 10.3992 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 10.3992 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 22.3872 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) 23.2809 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in WT MEF Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.2809 uM PubChem BioAssay. InCell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in WT MEF Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.2809 uM PubChem BioAssay. InCell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 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

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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