Detailed information for compound 1603093

Basic information

Technical information
  • TDR Targets ID: 1603093
  • Name: 2-[4-[(E)-[5-(2,4-dimethoxyphenyl)-6-ethoxyca rbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a] pyrimidin-2-ylidene]methyl]phenoxy]acetic aci d
  • MW: 538.569 | Formula: C27H26N2O8S
  • H donors: 1 H acceptors: 4 LogP: 3.97 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1OC)OC)c(=O)/c(=C\c1ccc(cc1)OCC(=O)O)/s2
  • InChi: 1S/C27H26N2O8S/c1-5-36-26(33)23-15(2)28-27-29(24(23)19-11-10-18(34-3)13-20(19)35-4)25(32)21(38-27)12-16-6-8-17(9-7-16)37-14-22(30)31/h6-13,24H,5,14H2,1-4H3,(H,30,31)/b21-12+
  • InChiKey: QDRSIQDHEDWBCQ-CIAFOILYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[(E)-[5-(2,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
  • 2-[4-[(E)-[6-carbethoxy-5-(2,4-dimethoxyphenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
  • 2-[4-[(E)-[5-(2,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]ethanoic acid
  • STK061704

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0554 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0289 0.0463
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0546
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0289 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0289 0.0977
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0138 0.2333 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0289 0.3302
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0039 0.0497 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.079 0.2985
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0039 0.0497 0.0497
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0133 0.0253
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0546
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.079 0.079
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0039 0.0497 0.1352
Brugia malayi Muscleblind-like protein 0.0172 0.296 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0039 0.0497 0.5535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0022 0.0187 0.081
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0289 0.0707
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0133 0.1873
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0039 0.0497 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0124 0.2077 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0133 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0289 0.3302
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0039 0.0497 0.5535
Mycobacterium ulcerans hypothetical protein 0.0027 0.0289 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0133 0.0451
Leishmania major phosphatidylinositol 3-kinase, putative 0.0039 0.0497 0.1081
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0133 0.0253
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.079 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0289 0.0977
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0138 0.2333 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0187 0.3062
Leishmania major hypothetical protein, conserved 0.003 0.0347 0.0635
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0041 0.0139
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0039 0.0497 0.1081
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0347 0.3249
Loa Loa (eye worm) hypothetical protein 0.0027 0.0289 0.0977
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0017 0.0096 0.0323
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0024 0.0232 0.1508
Onchocerca volvulus 0.0027 0.0289 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0124 0.2077 0.8837
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.0497 0.1679
Echinococcus multilocularis serine protein kinase ATM 0.0022 0.0187 0.0187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0187 0.3062
Plasmodium falciparum glutathione reductase 0.0054 0.079 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0039 0.0497 0.5535
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0133 0.0253
Schistosoma mansoni fkbp-rapamycin associated protein 0.0022 0.0187 0.0624
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0187 0.063
Mycobacterium tuberculosis Probable reductase 0.0124 0.2077 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0187 0.3062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0187 0.3062
Loa Loa (eye worm) hypothetical protein 0.0172 0.296 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0133 0.0133
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0289 0.3302
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0289 1
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0162 0.043
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0124 0.2077 0.8749
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0022 0.0187 0.0187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0187 0.063
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0289 0.0977
Echinococcus multilocularis muscleblind protein 1 0.0172 0.296 0.296
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0546
Toxoplasma gondii thioredoxin reductase 0.0054 0.079 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0347 0.3249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Brugia malayi hypothetical protein 0.002 0.0148 0.0499
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0039 0.0497 0.1352
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0133 0.1873
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0024 0.0232 0.1508
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0022 0.0187 0.0187
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0039 0.0497 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0124 0.2077 0.8837
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0039 0.0497 0.1081
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0017 0.0096 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0037 0.0037
Giardia lamblia GTOR 0.0039 0.0497 1
Echinococcus granulosus serine protein kinase ATM 0.0022 0.0187 0.0187
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0289 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0347 0.3249
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0022 0.0187 0.0624
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0141 0.0035
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0347 0.3249
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0039 0.0497 0.1662
Leishmania major trypanothione reductase 0.0054 0.079 0.1953
Echinococcus multilocularis muscleblind protein 0.0172 0.296 0.296
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0039 0.0497 0.5535
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0289 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0232 0.0785
Trypanosoma cruzi hypothetical protein, conserved 0.0194 0.3358 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0039 0.0497 0.0497
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0022 0.0187 0.0414
Loa Loa (eye worm) phosphatidylinositol 3 0.0039 0.0497 0.1679
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0289 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0133 0.0446
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0187 0.0414
Leishmania major hypothetical protein, conserved 0.0201 0.3495 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0162 0.0128
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0232 0.4087
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0546
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0187 0.3062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.2322 0.7846
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0347 0.3249
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0133 0.0253
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0289 0.0463
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.0168
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0347 0.0898
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0289 0.0463
Trypanosoma cruzi target of rapamycin kinase 3 0.0039 0.0497 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0187 0.3062
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0347 0.0898
Loa Loa (eye worm) glutathione reductase 0.0054 0.079 0.2669
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0039 0.0497 0.5535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0187 0.3062
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0039 0.0497 0.1081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0037 0.0037
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0039 0.0497 0.1081
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0017 0.0096 0.0096
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0133 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0039 0.0497 0.1662
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0133 0.0253
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.079 0.079
Loa Loa (eye worm) hypothetical protein 0.003 0.0347 0.1172
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0133 0.0253
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0162 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.296 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0141 0.0035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0141 0.0035
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0289 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0133 0.0253
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0096 0.1025
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.0497 0.1679
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0039 0.0497 0.0497
Echinococcus granulosus muscleblind protein 0.0172 0.296 0.296
Brugia malayi MH2 domain containing protein 0.0138 0.2322 0.7846
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0138 0.2333 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0162 0.1815
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0289 0.0977
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0289 0.0707
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0141 0.0035
Schistosoma mansoni hypothetical protein 0.0014 0.0037 0.0124
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.079 0.2669
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0039 0.0497 0.5535
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.079 0.2238
Plasmodium falciparum thioredoxin reductase 0.0054 0.079 1
Schistosoma mansoni hypothetical protein 0.0017 0.0096 0.032
Mycobacterium tuberculosis Probable dehydrogenase 0.0124 0.2077 0.8837
Loa Loa (eye worm) phosphatidylinositol 3 0.0039 0.0497 0.1679
Plasmodium vivax glutathione reductase, putative 0.0054 0.079 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0133 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Brugia malayi Thioredoxin reductase 0.0054 0.079 0.2669
Trypanosoma brucei trypanothione reductase 0.0054 0.079 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0546
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0162 0.043
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0039 0.0497 0.0497
Brugia malayi glutathione reductase 0.0054 0.079 0.2669
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0232 0.4087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.2322 0.7846
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0133 0.0253
Toxoplasma gondii FATC domain-containing protein 0.0022 0.0187 0.081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0187 0.3062
Loa Loa (eye worm) hypothetical protein 0.0022 0.0187 0.063
Brugia malayi FAT domain containing protein 0.0017 0.0096 0.0323
Loa Loa (eye worm) hypothetical protein 0.0027 0.0289 0.0977
Brugia malayi hypothetical protein 0.003 0.0347 0.1172
Treponema pallidum NADH oxidase 0.0019 0.0133 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0039 0.0497 0.1352
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0041 0.0139
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0289 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0497 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0138 0.2333 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0124 0.2077 0.8837

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 60.885 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 85.093 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.4654 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) 1.1689 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) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 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) 50.1187 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 of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.