Detailed information for compound 1478535

Basic information

Technical information
  • TDR Targets ID: 1478535
  • Name: butyl (E)-3-[3,4-bis(methoxycarbonyloxy)pheny l]prop-2-enoate
  • MW: 352.336 | Formula: C17H20O8
  • H donors: 0 H acceptors: 3 LogP: 3.76 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOC(=O)/C=C/c1ccc(c(c1)OC(=O)OC)OC(=O)OC
  • InChi: 1S/C17H20O8/c1-4-5-10-23-15(18)9-7-12-6-8-13(24-16(19)21-2)14(11-12)25-17(20)22-3/h6-9,11H,4-5,10H2,1-3H3/b9-7+
  • InChiKey: UADLXNOKDJHQRL-VQHVLOKHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • butyl 3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoate
  • (E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoic acid butyl ester
  • 3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoic acid butyl ester
  • 3-(3,4-dicarbomethoxyoxyphenyl)acrylic acid butyl ester
  • (E)-3-(3,4-dicarbomethoxyoxyphenyl)acrylic acid butyl ester
  • (E)-3-(3,4-Bis-methoxycarbonyloxy-phenyl)-acrylic acid butyl ester
  • ZINC02226463
  • MLS000589372
  • SMR000212757
  • AE-848/32736031
  • STOCK1S-10950

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
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
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0257
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.2276 1 1
Echinococcus granulosus GPCR family 2 0.0038 0.0044 0.0097
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0068 0.0257
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0215 0.0441
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0215 0.1237
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.041 1
Echinococcus multilocularis geminin 0.0205 0.0785 0.1798
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0257
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0068 1
Brugia malayi beta-lactamase family protein 0.0043 0.0068 0.1012
Schistosoma mansoni hypothetical protein 0.0205 0.0785 0.504
Schistosoma mansoni hypothetical protein 0.0082 0.0241 0.1409
Trichomonas vaginalis esterase, putative 0.0043 0.0068 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0068 0.0257
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.041 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0257
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0044 0.0097
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0044 0.0035
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.0241 0.1409
Brugia malayi RNA binding protein 0.0076 0.0215 0.487
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0068 0.0092
Entamoeba histolytica hypothetical protein 0.0028 0 0.5
Loa Loa (eye worm) beta-lactamase 0.0043 0.0068 0.0257
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.111 0.1049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0044 0.0383
Echinococcus granulosus snurportin 1 0.0372 0.1528 1
Echinococcus multilocularis snurportin 1 0.0372 0.1528 0.3567
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0068 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0215 0.487
Schistosoma mansoni hypothetical protein 0.0038 0.0044 0.0097
Onchocerca volvulus 0.0043 0.0068 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0068 1
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2276 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0044 0.0097
Schistosoma mansoni hypothetical protein 0.0038 0.0044 0.0097
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.2276 1 1
Brugia malayi TAR-binding protein 0.0076 0.0215 0.487
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0044 0.0383
Onchocerca volvulus 0.0043 0.0068 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0068 1
Brugia malayi RNA, U transporter 1 0.0099 0.0315 0.7502
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0044 0.0097
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.2276 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0068 0.1012
Toxoplasma gondii ABC1 family protein 0.0043 0.0068 0.0039
Echinococcus granulosus tar DNA binding protein 0.0076 0.0215 0.1237
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0215 0.1237
Loa Loa (eye worm) hypothetical protein 0.012 0.041 0.254
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0068 1
Leishmania major hypothetical protein, conserved 0.0043 0.0068 1
Brugia malayi beta-lactamase 0.0043 0.0068 0.1012
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4231 1
Echinococcus granulosus geminin 0.0205 0.0785 0.504
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0257
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0215 0.1237
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0068 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0068 0.0257
Schistosoma mansoni hypothetical protein 0.0372 0.1528 1
Echinococcus multilocularis GPCR, family 2 0.0038 0.0044 0.0035
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0215 0.1237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0257
Brugia malayi beta-lactamase family protein 0.0043 0.0068 0.1012
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0241 0.5549
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0215 0.1237
Schistosoma mansoni hypothetical protein 0.0038 0.0044 0.0097
Onchocerca volvulus 0.0043 0.0068 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0044 0.0097
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0257
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0215 0.1237
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0068 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.041 0.254
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0068 0.0039
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2276 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0215 0.1237
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0068 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0068 0.0257
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1528 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0044 0.0097
Loa Loa (eye worm) RNA binding protein 0.0076 0.0215 0.1237
Schistosoma mansoni hypothetical protein 0.0205 0.0785 0.504
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.2276 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0044 0.0035

Activities

Activity type Activity value Assay description Source Reference
AbsAC1000_uM (functional) = 5.538 uM PUBCHEM_BIOASSAY: In vivo-based yeast HTS to detect compounds rescuing yeast growth/survival of Plasmodium Falciparum HSP40-mediated toxicity Measured in Whole Organism System Using Plate Reader - 2120-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504552] ChEMBL. No reference
AbsAC35 (functional) = 11.02 uM PubChem BioAssay. Cell-based secondary assay to test the inhibitory activity of small molecule on Plasmodium flaciparum (HB3 strain) survival in red blood cells Measured in Cell-Based System Using Plate Reader - 2120-06_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AbsAC35 (functional) = 14.67 uM PubChem BioAssay. Cell-based secondary assay to test the inhibitory activity of small molecule on Plasmodium flaciparum (3D7 strain) survival in red blood cells Measured in Cell-Based System Using Plate Reader - 2120-05_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5012 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7079 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) 1.5849 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.5821 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) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 14.581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

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