Detailed information for compound 1448492

Basic information

Technical information
  • TDR Targets ID: 1448492
  • Name: methyl 4-[3-[2-(4-acetamidophenyl)sulfanylace tyl]-2,5-dimethylpyrrol-1-yl]benzoate
  • MW: 436.523 | Formula: C24H24N2O4S
  • H donors: 1 H acceptors: 3 LogP: 4.07 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C(=O)CSc1ccc(cc1)NC(=O)C
  • InChi: 1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)
  • InChiKey: BCNKQXDDMIBITO-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate
  • 4-[3-[2-[(4-acetamidophenyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester
  • 4-[3-[2-[(4-acetamidophenyl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester
  • methyl 4-[3-[2-(4-acetamidophenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate
  • MLS000418059
  • SMR000264819
  • T0520-3437

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, metabotropic 1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens glutamate receptor, metabotropic 7 Starlite/ChEMBL No references
Homo sapiens glutamate receptor, metabotropic 6 Starlite/ChEMBL No references
Homo sapiens glutamate receptor, metabotropic 4 No references
Homo sapiens glutamate receptor, metabotropic 8 Starlite/ChEMBL No references
Homo sapiens glutamate receptor, metabotropic 2 Starlite/ChEMBL No references
Homo sapiens glutamate receptor, metabotropic 5 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Metabotropic glutamate receptor precursor. Get druggable targets OG5_127095 All targets in OG5_127095
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative Get druggable targets OG5_127095 All targets in OG5_127095
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396

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
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0211 0.0373 0.0373
Trypanosoma cruzi Aminopeptidase M1, putative 0.0211 0.0373 1
Toxoplasma gondii aminopeptidase N protein 0.0211 0.0373 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0103 0.0097 0.0215
Onchocerca volvulus 0.0211 0.0373 1
Toxoplasma gondii aminopeptidase n, putative 0.0211 0.0373 0.5
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0211 0.0373 1
Brugia malayi hypothetical protein 0.1826 0.4507 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.3973 1 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0211 0.0373 1
Brugia malayi Peptidase family M1 containing protein 0.0211 0.0373 0.0827
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0211 0.0373 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0365 0.0768 0.1704
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0459 0.1006 0.1006
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0211 0.0373 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0211 0.0373 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0211 0.0373 1
Entamoeba histolytica aminopeptidase, putative 0.0211 0.0373 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0124 0.0124
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0211 0.0373 0.0373
Onchocerca volvulus 0.0211 0.0373 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0124 0.0124
Trypanosoma brucei aminopeptidase, putative 0.0211 0.0373 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0211 0.0373 0.0373
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Mycobacterium ulcerans aminopeptidase N PepN 0.0211 0.0373 0.5
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0211 0.0373 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0211 0.0373 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.0373 0.0373
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0211 0.0373 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0497 0.1103 0.1103
Trypanosoma cruzi aminopeptidase, putative 0.0211 0.0373 1
Brugia malayi TATA binding protein associated factor 0.0211 0.0373 0.0827
Schistosoma mansoni aminopeptidase A (M01 family) 0.0211 0.0373 0.0373
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0211 0.0373 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0211 0.0373 0.5
Brugia malayi metabotropic glutamate receptor type 2 0.0197 0.0336 0.0745
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0211 0.0373 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0103 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0497 0.1103 0.1103
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0338 0.0697 0.0697
Loa Loa (eye worm) glutamate receptor 0.0403 0.0865 0.0865
Echinococcus multilocularis aminopeptidase N 0.0211 0.0373 0.0373
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0211 0.0373 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0211 0.0373 1
Echinococcus granulosus aminopeptidase N 0.0211 0.0373 0.0373
Giardia lamblia Kinase, PLK 0.0114 0.0124 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Schistosoma mansoni metabotropic glutamate receptor 0.0338 0.0697 0.0697
Brugia malayi hypothetical protein 0.0211 0.0373 0.0827
Echinococcus multilocularis leukotriene A 4 hydrolase 0.3973 1 1
Loa Loa (eye worm) aminopeptidase N 0.0211 0.0373 0.0373
Trypanosoma brucei Aminopeptidase M1, putative 0.0211 0.0373 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2339 0.2339
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0124 0.0276
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0211 0.0373 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0211 0.0373 1
Loa Loa (eye worm) glutamate receptor 0.0159 0.0239 0.0239
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0211 0.0373 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0211 0.0373 0.0373
Brugia malayi Peptidase family M1 containing protein 0.0211 0.0373 0.0827
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0211 0.0373 0.0373
Toxoplasma gondii aminopeptidase N, putative 0.0211 0.0373 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Schistosoma mansoni metabotropic glutamate receptor 0.0197 0.0336 0.0336
Onchocerca volvulus 0.0211 0.0373 1
Brugia malayi Peptidase family M1 containing protein 0.0211 0.0373 0.0827
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0124 0.0124
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0103 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0103 0.0097 0.0097
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0124 0.3338
Loa Loa (eye worm) leukotriene A4 hydrolase 0.3973 1 1
Trypanosoma cruzi aminopeptidase, putative 0.0211 0.0373 1
Brugia malayi hypothetical protein 0.0211 0.0373 0.0827
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0211 0.0373 0.0373
Loa Loa (eye worm) TATA binding protein associated factor 0.0211 0.0373 0.0373
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0211 0.0373 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0211 0.0373 0.5
Loa Loa (eye worm) hypothetical protein 0.0211 0.0373 0.0373
Echinococcus granulosus metabotropic glutamate receptor 2 0.0338 0.0697 0.0697
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0497 0.1103 0.1103
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0211 0.0373 0.0373
Brugia malayi Metabotropic glutamate receptor precursor. 0.0403 0.0865 0.1919

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0.31 uM PubChem BioAssay. Selectivity Studies of mglur8 probe at mglur1. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 0.35 uM PubChem BioAssay. Selectivity Studies of mglur8 probe at mglur5. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 0.37 uM PubChem BioAssay. Selectivity Studies of mglur8 probe at mglur2. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 0.39 uM PubChem BioAssay. Selectivity Studies of mglur8 probe at mglur6. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 0.73 uM PubChem BioAssay. Fold shift mGlu8 using GIRK assay. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 0.93 uM PubChem BioAssay. Modulation of the Metabotropic Glutamate Receptors mGlu7 and mGlu8: Potency at rat mGlu8/calcium. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 1.5 uM PubChem BioAssay. Potency at mGlu7 using calcium mobilization. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 1.78 uM PubChem BioAssay. Fold shift mGlu4, mGlu7, mGlu8 using calcium mobilization. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 1.8 uM PubChem BioAssay. Modulation of the Metabotropic Glutamate Receptors mGlu7and mGlu8:Potency at rat mGlu8/GIRK (Confirmatory). (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 3.43 uM PubChem BioAssay. Modulation of the Metabotropic Glutamate Receptors mGlu7 and mGlu8: Potency at rat mGlu4/calcium. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 4.1 uM PubChem BioAssay. Fold shift mGlu4 using GIRK assays. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 16.2 uM PubChem BioAssay. Fold shift mGlu7 using calcium mobilization. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 28.4 uM PubChem BioAssay. Fold shift mGlu7 using GIRK Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) 13.3714 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) 14.7157 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) 16.3601 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 28.1838 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. 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 (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Saccharomyces cerevisiae ChEMBL23
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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