Detailed information for compound 1276849

Basic information

Technical information
  • TDR Targets ID: 1276849
  • Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl ] 3,4,5-trimethoxybenzoate
  • MW: 447.501 | Formula: C22H25NO7S
  • H donors: 0 H acceptors: 1 LogP: 2.9 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC(=O)c1cc(OC)c(c(c1)OC)OC)C(=S)N1CCOCC1
  • InChi: 1S/C22H25NO7S/c1-25-17-11-14(21(31)23-7-9-29-10-8-23)5-6-16(17)30-22(24)15-12-18(26-2)20(28-4)19(13-15)27-3/h5-6,11-13H,7-10H2,1-4H3
  • InChiKey: JQNACLIZFMFLSZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3,4,5-trimethoxybenzoic acid [2-methoxy-4-(morpholino-thioxomethyl)phenyl] ester
  • 3,4,5-trimethoxybenzoic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester
  • (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,4,5-trimethoxybenzoate
  • AG-205/36655012
  • A1154/0054001
  • EU-0040100

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Brugia malayi hypothetical protein 0.0027 0.0085 0.0156
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Entamoeba histolytica hypothetical protein 0.0023 0.006 0.0775
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0751 0.5472 1
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0023 0.006 0.0048
Onchocerca volvulus 0.005 0.0258 0.0897
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0265 0.105
Echinococcus multilocularis beta adrenergic receptor kinase 0.0023 0.006 0.0048
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0976 0.7149 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0202 0.1393 0.2545
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0271 0.1077
Schistosoma mansoni hypothetical protein 0.0174 0.1179 0.2106
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.006 0.0048
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0265 0.0933
Schistosoma mansoni axis inhibition protein axin 0.0023 0.006 0.0048
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0513 0.0889
Trypanosoma brucei flagellum-adhesion glycoprotein, putative 0.002 0.0034 0.0111
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0299 0.0487
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0299 0.0494
Brugia malayi Blistered cuticle protein 3 0.0027 0.0085 0.0156
Loa Loa (eye worm) hypothetical protein 0.0155 0.1039 0.1855
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.006 0.0048
Echinococcus granulosus expressed protein 0.0451 0.324 0.5896
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0136 0.039
Brugia malayi hypothetical protein 0.0023 0.006 0.0109
Echinococcus multilocularis chromobox protein 1 0.0084 0.0513 0.0882
Echinococcus granulosus Regulator of G protein signaling 20 0.0023 0.006 0.0048
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0271 0.1077
Brugia malayi PXA domain containing protein 0.0023 0.006 0.0109
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0372 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Giardia lamblia Myb 1-like protein 0.0029 0.0105 0.3502
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1189 0.2125
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0271 0.0627
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0239 0.606
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0156 0.0225
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Schistosoma mansoni chromobox protein 0.0084 0.0513 0.0882
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0372 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0239 0.5
Loa Loa (eye worm) B-box zinc finger family protein 0.002 0.0034 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0299 0.0487
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0372 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0023 0.006 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0136 0.039
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0196 0.1348 0.2464
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.006 0.0048
Trichomonas vaginalis pc-MYB2, putative 0.0029 0.0104 0.0228
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0007
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0085 0.0102
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.006 0.0048
Echinococcus multilocularis peroxidasin 0.0027 0.0085 0.0095
Trichomonas vaginalis C-MYB, putative 0.0029 0.0104 0.0228
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0372 0.0628
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0399 0.2853 0.5215
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0007
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0751 0.5472 1
Brugia malayi B-box type zinc-finger protein ncl-1 0.002 0.0034 0.0062
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0244
Schistosoma mansoni axis inhibition protein axin 0.0023 0.006 0.0048
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Trichomonas vaginalis MYB3r3, putative 0.0029 0.0104 0.0228
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0513 0.232
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Brugia malayi Pre-SET motif family protein 0.0036 0.0156 0.0285
Brugia malayi B-box zinc finger family protein 0.002 0.0034 0.0062
Loa Loa (eye worm) B-box zinc finger family protein 0.002 0.0034 0.0007
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0023 0.006 0.0048
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0156 0.0225
Echinococcus granulosus chromobox protein 1 0.0084 0.0513 0.0882
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0023 0.006 0.0109
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0513 0.232
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.006 0.0048
Brugia malayi A-kinase anchor protein 10, precursor 0.0023 0.006 0.0109
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0372 0.0622
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0238 0.0913
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.006 0.0109
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Brugia malayi chromobox protein homolog 3 0.0047 0.0238 0.0436
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2015 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.006 0.0048
Brugia malayi hypothetical protein 0.0155 0.1039 0.1899
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0085 0.0102
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Loa Loa (eye worm) hypothetical protein 0.0399 0.2853 0.5189
Entamoeba histolytica hypothetical protein 0.0023 0.006 0.0775
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0372 0.0622
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0156 0.0225
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0085 0.0102
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0751 0.5472 1
Schistosoma mansoni chromobox protein 0.0084 0.0513 0.0882
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.006 0.0048
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0271 1
Trypanosoma brucei flagellum-adhesion glycoprotein, putative 0.002 0.0034 0.0111
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1189 0.2174
Echinococcus multilocularis geminin 0.0174 0.1179 0.2106
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0299 0.0546
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0105 0.0233
Loa Loa (eye worm) acetyltransferase 0.0175 0.1189 0.2131
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.006 0.0048
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Loa Loa (eye worm) blistered cuticle protein 3 0.0027 0.0085 0.0102
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0258 0.0413
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0299 0.0487
Schistosoma mansoni z-protein (S1r protein) 0.0023 0.006 0.0048
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0383 0.2739 1
Brugia malayi PXA domain containing protein 0.0023 0.006 0.0109
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0239 1
Trichomonas vaginalis C-MYB, putative 0.0029 0.0104 0.0228
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0238 0.0913
Brugia malayi Peroxidasin 0.0027 0.0085 0.0156
Echinococcus granulosus axis inhibition protein axin 0.0023 0.006 0.0048
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.006 0.0109
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0265 0.105
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0372 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0156 0.0191
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0271 0.0627
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1153 0.2058
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0383 0.2739 0.2717
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.006 0.0048
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0271 0.0436
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0007
Brugia malayi B-box type zinc-finger protein ncl-1 0.002 0.0034 0.0062
Loa Loa (eye worm) hypothetical protein 0.0751 0.5472 1
Loa Loa (eye worm) RGS-3 protein 0.0023 0.006 0.0055
Trichomonas vaginalis MYB, putative 0.0029 0.0105 0.0233
Brugia malayi hypothetical protein 0.0023 0.006 0.0109
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0976 0.7149 1
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.006 0.0048
Loa Loa (eye worm) RING finger protein nhl-1 0.002 0.0034 0.0007
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Echinococcus multilocularis chromobox protein 1 0.0084 0.0513 0.0882
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0105 0.0233
Schistosoma mansoni dopamine-beta-monooxygenase 0.0399 0.2853 0.5185
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0372 0.0622
Loa Loa (eye worm) hypothetical protein 0.0047 0.0238 0.0383
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.006 0.0048
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0238 0.0795
Onchocerca volvulus 0.0155 0.1039 0.4943
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0299 0.0487
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.006 0.0048
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Brugia malayi regulator of G-protein signaling rgs-7 0.0023 0.006 0.0109
Schistosoma mansoni hypothetical protein 0.0174 0.1179 0.2106
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0156 0.0225
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.136 1 0.5
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.0231
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.136 1 0.5
Brugia malayi Cytochrome P450 family protein 0.0029 0.0106 0.0193
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0372 0.068
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0156 0.0225
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Brugia malayi Cytochrome P450 family protein 0.0019 0.003 0.0055
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0085 0.0102
Echinococcus granulosus axis inhibition protein axin 0.0023 0.006 0.0048
Brugia malayi Cytochrome P450 family protein 0.0019 0.003 0.0055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0299 0.0487
Brugia malayi regulator of G-protein signaling egl-10 0.0023 0.006 0.0109
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0168 0.0247
Onchocerca volvulus 0.0037 0.0163 0.0402
Brugia malayi Heterochromatin protein 1 0.0084 0.0513 0.0938
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0751 0.5472 1
Schistosoma mansoni peptidylglycine monooxygenase 0.0399 0.2853 0.5185
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Onchocerca volvulus 0.0286 0.2015 1
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0299 0.0487
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Loa Loa (eye worm) NCL-1 protein 0.002 0.0034 0.0007
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.006 0.0048
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0023 0.006 0.0055
Schistosoma mansoni peroxidasin 0.0027 0.0085 0.0095
Echinococcus multilocularis regulator of G protein signaling 0.0023 0.006 0.0048
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0372 1
Brugia malayi Hypothetical RING finger protein F54G8.4 in chromosome III 0.002 0.0034 0.0062
Echinococcus granulosus geminin 0.0174 0.1179 0.2106
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1189 0.2125
Echinococcus granulosus chromobox protein 1 0.0084 0.0513 0.0882
Echinococcus granulosus peroxidasin 0.0027 0.0085 0.0095
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Trichomonas vaginalis MYB72, putative 0.0029 0.0104 0.0228
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Echinococcus multilocularis expressed protein 0.0451 0.324 0.5896
Schistosoma mansoni peroxidasin 0.0027 0.0085 0.0095
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0168 0.0247
Brugia malayi Pre-SET motif family protein 0.0251 0.1757 0.3211
Echinococcus multilocularis Regulator of G protein signaling 20 0.0023 0.006 0.0048
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.136 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0299 0.0487
Trichomonas vaginalis pc-MYB2, putative 0.0029 0.0104 0.0228
Echinococcus granulosus beta-adrenergic receptor kinase 0.0023 0.006 0.0048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0156 0.0225
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0146 0.0206
Entamoeba histolytica hypothetical protein 0.0023 0.006 0.0775
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0023 0.006 0.0048
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1757 0.3173
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0023 0.006 0.0055
Brugia malayi B-box zinc finger family protein 0.002 0.0034 0.0062
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0106 0.0139
Loa Loa (eye worm) PXA domain-containing protein 0.0023 0.006 0.0055
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 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) 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) = 31.6228 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) 44.6684 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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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