Detailed information for compound 1358227

Basic information

Technical information
  • TDR Targets ID: 1358227
  • Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]-me thylamino]-2-oxoethyl] 1-[5-(trifluoromethyl) pyridin-2-yl]piperidine-4-carboxylate
  • MW: 496.455 | Formula: C23H24F4N4O4
  • H donors: 1 H acceptors: 4 LogP: 3.07 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(C(=O)COC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)C)Nc1ccc(cc1)F
  • InChi: 1S/C23H24F4N4O4/c1-30(13-20(32)29-18-5-3-17(24)4-6-18)21(33)14-35-22(34)15-8-10-31(11-9-15)19-7-2-16(12-28-19)23(25,26)27/h2-7,12,15H,8-11,13-14H2,1H3,(H,29,32)
  • InChiKey: AGWMRDVJTVHPCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[[2-[(4-fluorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate
  • 1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidinecarboxylic acid [2-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl] ester
  • 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-[[2-[(4-fluorophenyl)amino]-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester
  • [2-[[2-[(4-fluorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
  • T5520517

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) beta-lactamase 0.0043 0.1044 0.1044
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1175 0.1175
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0044 0.0071
Trichomonas vaginalis CAMK family protein kinase 0.0206 0.6132 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0044 0.0071
Mycobacterium ulcerans beta-lactamase 0.0043 0.1044 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0071
Loa Loa (eye worm) hypothetical protein 0.0206 0.6121 0.6121
Schistosoma mansoni hypothetical protein 0.0019 0.0279 0.0456
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0218 0.1775
Plasmodium falciparum glutathione reductase 0.0049 0.1225 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.3201 0.3656
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0071
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0279 0.0456
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0044 0.0044
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0218 0.0218
Schistosoma mansoni kinase 0.0105 0.2961 0.4828
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0071
Loa Loa (eye worm) hypothetical protein 0.0043 0.1044 0.1044
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0044 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.0044
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.1225 1
Onchocerca volvulus 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Giardia lamblia Kinase, PLK 0.0206 0.6132 1
Trypanosoma brucei polo-like protein kinase 0.0206 0.6132 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1568 0.1568
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0044 0.0071
Trypanosoma cruzi polo-like protein kinase, putative 0.0206 0.6132 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1175 0.1916
Plasmodium falciparum thioredoxin reductase 0.0049 0.1225 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.3593 0.4137
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.0044
Brugia malayi Thioredoxin reductase 0.0049 0.1225 0.1225
Schistosoma mansoni hypothetical protein 0.0019 0.0279 0.0456
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0044 0.0044
Brugia malayi N-terminal motif family protein 0.0206 0.6121 0.6121
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0044 0.0044
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1044 0.1398
Loa Loa (eye worm) hypothetical protein 0.0043 0.1044 0.1044
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0206 0.6132 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1044 0.1013
Mycobacterium tuberculosis Probable reductase 0.0112 0.3201 0.3656
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1044 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.0044
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0071
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1568 0.1568
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0076 0.0076
Schistosoma mansoni hypothetical protein 0.0177 0.5209 0.8495
Onchocerca volvulus Serine\/threonine kinase homolog 0.0206 0.6132 0.6132
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0071
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0044 0.0044
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0218 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.2876 0.4494
Entamoeba histolytica serine/threonine protein kinase, putative 0.0206 0.6132 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1044 0.1398
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.3941 0.3941
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0218 0.0355
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0076 0.0076
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1044 0.1703
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0206 0.6132 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.3201 0.3656
Trichomonas vaginalis CAMK family protein kinase 0.0206 0.6132 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0043 0.1044 0.1044
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1044 0.1398
Brugia malayi glutathione reductase 0.0049 0.1225 0.1225
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.3201 0.3656
Brugia malayi beta-lactamase family protein 0.0043 0.1044 0.1044
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1175 0.1175
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1044 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.1225 0.1998
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.3201 0.3656
Loa Loa (eye worm) hypothetical protein 0.006 0.1568 0.1568
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0071
Toxoplasma gondii thioredoxin reductase 0.0049 0.1225 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0218 0.0355
Onchocerca volvulus 0.0043 0.1044 0.1044
Brugia malayi beta-lactamase 0.0043 0.1044 0.1044
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1044 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0134 0.3869 0.3869
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.3593 1
Schistosoma mansoni hypothetical protein 0.0041 0.0971 0.1584
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0279 0.0279
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1175 0.1916
Loa Loa (eye worm) glutathione reductase 0.0049 0.1225 0.1225
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0044 0.0071
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1044 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0044 0.0044
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1044 0.1398
Schistosoma mansoni hypothetical protein 0.0019 0.0279 0.0456
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0218 0.1775
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0044 0.0044
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1044 0.1013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1175 0.1916
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0044 0.0071
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1044 0.1703
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1044 0.1013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.0044
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.3941 0.3941
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0218 0.0355
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0044 0.0071
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0044 0.0071
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0044 0.0071
Trichomonas vaginalis esterase, putative 0.0043 0.1044 0.1398
Leishmania major hypothetical protein, conserved 0.0043 0.1044 0.1398
Mycobacterium ulcerans lipase LipD 0.0043 0.1044 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0071
Echinococcus granulosus GPCR family 2 0.0019 0.0279 0.0456
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1044 0.1044
Trichomonas vaginalis CAMK family protein kinase 0.0206 0.6132 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1175 0.1916
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1568 0.1568
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.0044
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.2876 0.4494
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0206 0.6132 0.6132
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0218 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1175 0.1916
Mycobacterium tuberculosis Conserved protein 0.0043 0.1044 0.1013
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0071
Trichomonas vaginalis CAMK family protein kinase 0.0206 0.6132 1
Echinococcus granulosus geminin 0.0177 0.5209 0.8495
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0071
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0206 0.6121 0.6121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.0044
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.6132 1
Onchocerca volvulus 0.0012 0.0044 0.0044
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.1225 0.1704
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0071
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0071
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8378 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0279 0.0456
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0044 0.0071
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.1225 0.1998
Plasmodium vivax glutathione reductase, putative 0.0049 0.1225 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1044 0.1398
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1044 0.1013
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.0044
Brugia malayi ecdysteroid receptor 0.0012 0.0044 0.0044
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0044 0.0071
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0044 0.0044
Trichomonas vaginalis CAMK family protein kinase 0.0206 0.6132 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0044 0.0071
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.3593 0.4137
Schistosoma mansoni hypothetical protein 0.0177 0.5209 0.8495
Loa Loa (eye worm) hypothetical protein 0.0041 0.0971 0.0971
Toxoplasma gondii ABC1 family protein 0.0043 0.1044 0.8522
Treponema pallidum NADH oxidase 0.0017 0.0218 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0279 0.0279
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0971 0.0971
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.1225 0.1235
Loa Loa (eye worm) hypothetical protein 0.0043 0.1044 0.1044
Loa Loa (eye worm) hypothetical protein 0.0043 0.1044 0.1044
Leishmania major trypanothione reductase 0.0049 0.1225 0.1704
Onchocerca volvulus 0.0043 0.1044 0.1044
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.0044
Schistosoma mansoni coup transcription factor 0.0012 0.0044 0.0071
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0112 0.3201 0.846
Brugia malayi nuclear receptor NHR-88 0.0012 0.0044 0.0044
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1044 0.1044
Trichomonas vaginalis CAMK family protein kinase 0.0206 0.6132 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0134 0.3869 0.631
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0206 0.6132 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0206 0.6132 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0134 0.3869 0.631
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0044 0.0071
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0044 0.0044
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1044 0.1013
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.1225 0.1225
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1175 0.1916
Trypanosoma brucei trypanothione reductase 0.0049 0.1225 0.1704
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0279 0.0456
Schistosoma mansoni hypothetical protein 0.0019 0.0279 0.0456
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0279 0.0456
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0218 0.5
Onchocerca volvulus 0.0043 0.1044 0.1044
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0044 0.0071
Mycobacterium tuberculosis Conserved protein 0.0043 0.1044 0.1013
Brugia malayi steroid hormone receptor 0.0012 0.0044 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0134 0.3869 0.3869
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1044 0.1398
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0071
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1044 0.1013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.0044
Echinococcus multilocularis geminin 0.0177 0.5209 0.8495
Loa Loa (eye worm) hypothetical protein 0.0043 0.1044 0.1044
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1175 0.1916
Trichomonas vaginalis CAMK family protein kinase 0.0206 0.6132 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0128 0.3679 0.5999
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.0044
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1044 0.8203
Mycobacterium ulcerans hypothetical protein 0.0043 0.1044 1
Loa Loa (eye worm) hypothetical protein 0.033 1 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0279 0.0279
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1044 0.1703
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.0044
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1044 0.1013
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.3201 0.3656
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1044 0.1703
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0279 0.0456
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.0044
Brugia malayi serine/threonine-protein kinase plk-2 0.0206 0.6132 0.6132
Brugia malayi nuclear hormone receptor 0.0012 0.0044 0.0044
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1044 0.1013
Brugia malayi beta-lactamase family protein 0.0043 0.1044 0.1044
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0044 0.0071
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.3593 0.4137
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0044 0.0071
Brugia malayi MH2 domain containing protein 0.0136 0.3941 0.3941
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0279

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 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) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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) 100 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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