Detailed information for compound 1421630

Basic information

Technical information
  • TDR Targets ID: 1421630
  • Name: N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-furan- 2-yl-5-methylimidazo[3,2-a]pyridin-3-amine
  • MW: 347.367 | Formula: C20H17N3O3
  • H donors: 1 H acceptors: 1 LogP: 4.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc2n1c(Nc1ccc3c(c1)OCCO3)c(n2)c1ccco1
  • InChi: 1S/C20H17N3O3/c1-13-4-2-6-18-22-19(16-5-3-9-24-16)20(23(13)18)21-14-7-8-15-17(12-14)26-11-10-25-15/h2-9,12,21H,10-11H2,1H3
  • InChiKey: PPRHUTHYAVJGDO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-furyl)-5-methyl-imidazo[3,2-a]pyridin-3-amine
  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-furyl)-5-methyl-3-imidazo[3,2-a]pyridinamine
  • 2,3-dihydro-1,4-benzodioxin-7-yl-[2-(2-furyl)-5-methyl-imidazo[3,2-a]pyridin-3-yl]amine
  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-furan-2-yl-5-methyl-imidazo[3,2-a]pyridin-3-amine
  • SMR000308584
  • ZINC03909773
  • STK228498
  • MLS000730308
  • N-2,3-dihydro-1,4-benzodioxin-6-yl-2-(2-furyl)-5-methylimidazo[1,2-a]pyridin-3-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
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 %
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
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3752 1
Onchocerca volvulus 0.0035 0.0189 0.1377
Schistosoma mansoni hypothetical protein 0.0023 0.0097 0.0143
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7518 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.1234 0.1811
Schistosoma mansoni alpha-glucosidase 0.0169 0.1234 0.1811
Loa Loa (eye worm) hypothetical protein 0.0016 0.0046 0.0046
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0187 0.1369 1
Echinococcus granulosus GPCR family 2 0.0411 0.3109 0.8286
Brugia malayi TAR-binding protein 0.0451 0.3422 0.3422
Entamoeba histolytica hypothetical protein 0.0043 0.0257 0.9923
Loa Loa (eye worm) hypothetical protein 0.0411 0.3109 0.3109
Brugia malayi N-terminal motif family protein 0.0187 0.1369 0.1369
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0036 0.0202 0.0297
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.03 0.2248 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0253 0.1881 0.1881
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0258 0.1088
Leishmania major isocitrate dehydrogenase, putative 0.0036 0.0202 0.0711
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0411 0.3109 0.4135
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0036 0.0202 0.0202
Echinococcus multilocularis tar DNA binding protein 0.0451 0.3422 0.4552
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1446 0.3854
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0003 0.0003
Trypanosoma brucei isocitrate dehydrogenase, putative 0.03 0.2248 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.03 0.2248 1
Loa Loa (eye worm) apoptosis regulator protein 0.0061 0.0391 0.0391
Loa Loa (eye worm) latrophilin receptor protein 2 0.0411 0.3109 0.3109
Brugia malayi hypothetical protein 0.0043 0.0257 0.0257
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0258 0.0965
Loa Loa (eye worm) hypothetical protein 0.0061 0.0391 0.0391
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1446 0.1924
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0189 0.0189
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0061 0.0391 0.1043
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.03 0.2248 0.2991
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.03 0.2248 0.3301
Entamoeba histolytica hypothetical protein 0.0043 0.0257 0.9923
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0036 0.0202 0.0539
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.03 0.2248 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0258 0.1088
Schistosoma mansoni glutaminase 0.0268 0.1999 0.2935
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0258 0.1088
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0411 0.3109 0.8286
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0036 0.0202 0.0802
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0258 0.1088
Loa Loa (eye worm) isocitrate dehydrogenase 0.03 0.2248 0.2248
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0036 0.0202 0.0202
Brugia malayi RNA binding protein 0.0451 0.3422 0.3422
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0036 0.0202 0.0539
Loa Loa (eye worm) hypothetical protein 0.0888 0.681 0.681
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0097 0.013
Schistosoma mansoni apoptosis regulator bax 0.0061 0.0391 0.0574
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0036 0.0202 0.0269
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0258 1
Brugia malayi Probable isocitrate dehydrogenase 0.0036 0.0202 0.0202
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0316 0.1229
Trypanosoma brucei glucosidase, putative 0.0044 0.0258 0.0965
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.03 0.2248 1
Brugia malayi hypothetical protein 0.0051 0.0316 0.0316
Schistosoma mansoni hypothetical protein 0.0043 0.0257 0.0377
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.03 0.2248 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.03 0.2248 1
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0036 0.0202 0.5
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0061 0.0391 0.0391
Toxoplasma gondii isocitrate dehydrogenase 0.03 0.2248 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0061 0.0391 0.1043
Schistosoma mansoni tar DNA-binding protein 0.0451 0.3422 0.5025
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0258 0.1088
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0258 0.0965
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0451 0.3422 0.3422
Echinococcus multilocularis GPCR, family 2 0.0411 0.3109 0.4135
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0036 0.0202 0.0202
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.03 0.2248 0.5992
Schistosoma mansoni hypothetical protein 0.0061 0.0391 0.0574
Echinococcus granulosus cpg binding protein 0.0037 0.0204 0.0543
Brugia malayi latrophilin 2 splice variant baaae 0.0888 0.681 0.681
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.03 0.2248 0.2991
Schistosoma mansoni hypothetical protein 0.0411 0.3109 0.4565
Loa Loa (eye worm) hypothetical protein 0.0187 0.1369 0.1369
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0257 0.0341
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0411 0.3109 0.8286
Loa Loa (eye worm) hypothetical protein 0.0253 0.1881 0.1881
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0258 0.0343
Schistosoma mansoni hypothetical protein 0.0411 0.3109 0.4565
Onchocerca volvulus 0.0114 0.0802 0.586
Loa Loa (eye worm) glutaminase 2 0.0268 0.1999 0.1999
Brugia malayi RNA recognition motif domain containing protein 0.0451 0.3422 0.3422
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0046 0.0333
Brugia malayi CXXC zinc finger family protein 0.0035 0.0189 0.0189
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0036 0.0202 0.0202
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0258 0.1088
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0061 0.0391 0.052
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.049 0.072
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0258 0.0688
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1446 0.1446
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.03 0.2248 0.2991
Entamoeba histolytica hypothetical protein 0.0043 0.0257 0.9923
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0046 0.0046
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0411 0.3109 0.4135
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0316 0.0292
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0258 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1446 0.1924
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1446 0.1446
Loa Loa (eye worm) TAR-binding protein 0.0451 0.3422 0.3422
Schistosoma mansoni hypothetical protein 0.0494 0.3752 0.5509
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0258 0.0965
Schistosoma mansoni hypothetical protein 0.0888 0.681 1
Echinococcus multilocularis isocitrate dehydrogenase 0.03 0.2248 0.2991
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0257 0.0684
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0258 0.1088
Loa Loa (eye worm) RNA binding protein 0.0451 0.3422 0.3422
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0061 0.0391 0.0574
Brugia malayi Isocitrate dehydrogenase 0.03 0.2248 0.2248
Brugia malayi Latrophilin receptor protein 2 0.0411 0.3109 0.3109
Brugia malayi glutaminase DH11.1 0.0268 0.1999 0.1999
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0036 0.0202 0.0269
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0429 0.086
Brugia malayi hypothetical protein 0.0033 0.0176 0.0176
Schistosoma mansoni hypothetical protein 0.0411 0.3109 0.4565
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0097 0.026
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0316 0.1229
Loa Loa (eye worm) hypothetical protein 0.1299 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0257 0.9923
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0316 0.1229
Loa Loa (eye worm) hypothetical protein 0.0051 0.0316 0.0316
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1299 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0257 0.0377
Brugia malayi isocitrate dehydrogenase 0.03 0.2248 0.2248
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0036 0.0202 0.0202
Schistosoma mansoni cpg binding protein 0.0037 0.0204 0.0299
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0003 0.0007
Trichomonas vaginalis glutaminase, putative 0.0268 0.1999 1
Schistosoma mansoni hypothetical protein 0.0061 0.0391 0.0574
Echinococcus multilocularis cpg binding protein 0.0037 0.0204 0.0271
Schistosoma mansoni tar DNA-binding protein 0.0451 0.3422 0.5025
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3752 0.4991
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0061 0.0391 0.052
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.03 0.2248 1
Schistosoma mansoni tar DNA-binding protein 0.0451 0.3422 0.5025
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0258 0.1088
Loa Loa (eye worm) glutaminase 0.0268 0.1999 0.1999
Schistosoma mansoni isocitrate dehydrogenase 0.0036 0.0202 0.0297
Schistosoma mansoni cpg binding protein 0.0037 0.0204 0.0299
Toxoplasma gondii isocitrate dehydrogenase 0.03 0.2248 1
Brugia malayi Probable isocitrate dehydrogenase 0.0036 0.0202 0.0202
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0411 0.3109 0.3109
Schistosoma mansoni hypothetical protein 0.0411 0.3109 0.4565
Schistosoma mansoni tar DNA-binding protein 0.0451 0.3422 0.5025
Schistosoma mansoni alpha glucosidase 0.0044 0.0258 0.0379
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.03 0.2248 0.2991
Schistosoma mansoni cpg binding protein 0.0035 0.0189 0.0277
Echinococcus granulosus tar DNA binding protein 0.0451 0.3422 0.9121
Schistosoma mansoni hypothetical protein 0.0061 0.0391 0.0574
Schistosoma mansoni unc-13 (munc13) 0.0036 0.0202 0.0297
Brugia malayi Calcitonin receptor-like protein seb-1 0.1299 1 1
Mycobacterium ulcerans glutaminase 0.0268 0.1999 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0258 0.0258
Leishmania major hypothetical protein, conserved 0.0051 0.0316 0.1229
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0002 0.0002
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0258 0.1088
Entamoeba histolytica tartrate dehydrogenase, putative 0.0036 0.0202 0.7371
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0258 0.0258
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0036 0.0202 0.5
Schistosoma mansoni tar DNA-binding protein 0.0451 0.3422 0.5025

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6511 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) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 7.3048 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 9.2 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 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
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) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) = 79.4328 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

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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