Detailed information for compound 1260549

Basic information

Technical information
  • TDR Targets ID: 1260549
  • Name: N-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-3 H-pyrimidin-4-yl]benzenesulfonamide
  • MW: 407.894 | Formula: C17H14ClN3O3S2
  • H donors: 2 H acceptors: 5 LogP: 4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(SCc2ccccc2Cl)nc(c1)NS(=O)(=O)c1ccccc1
  • InChi: 1S/C17H14ClN3O3S2/c18-14-9-5-4-6-12(14)11-25-17-19-15(10-16(22)20-17)21-26(23,24)13-7-2-1-3-8-13/h1-10H,11H2,(H2,19,20,21,22)
  • InChiKey: PKLAZZCULBNLKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[(2-chlorophenyl)methylthio]-6-oxo-3H-pyrimidin-4-yl]benzenesulfonamide
  • N-[2-[(2-chlorobenzyl)thio]-6-keto-3H-pyrimidin-4-yl]benzenesulfonamide
  • ZINC05014501
  • BAS 02749229
  • MLS000554029
  • SMR000172133
  • ZINC00877825
  • N-[2-(2-Chloro-benzylsulfanyl)-6-hydroxy-pyrimidin-4-yl]-benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0097 0.0044
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0169 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0169 0.0206
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0713 0.1818
Schistosoma mansoni lamin 0.0033 0.0447 0.0543
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0162 0.0124
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.0132
Loa Loa (eye worm) inositol-1 0.0036 0.0501 0.119
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0424 0.0444
Loa Loa (eye worm) hypothetical protein 0.0015 0.0152 0.0162
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0155 0.0115
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0501 0.3095
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0392 0.0405
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0447 0.1029
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0155 0.0115
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0169 0.0132
Loa Loa (eye worm) hypothetical protein 0.0015 0.0152 0.0162
Mycobacterium tuberculosis Conserved hypothetical protein 0.011 0.175 0.1608
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.0132
Echinococcus granulosus intermediate filament protein 0.0033 0.0447 0.0471
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0501 0.0538
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0424 0.1612
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0501 0.3095
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.1025 0.5413
Loa Loa (eye worm) hypothetical protein 0.0032 0.0437 0.1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0706 0.0858
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0169 0.0132
Brugia malayi CXXC zinc finger family protein 0.0035 0.0482 0.114
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0192 0.0285
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0447 0.1029
Onchocerca volvulus 0.0033 0.0447 0.0064
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1242 0.1445
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0192 0.0278
Schistosoma mansoni cpg binding protein 0.0037 0.0516 0.0627
Onchocerca volvulus 0.0048 0.0706 0.0792
Schistosoma mansoni hypothetical protein 0.0033 0.0455 0.0552
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1242 1
Onchocerca volvulus 0.0242 0.3989 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0501 0.1191
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0169 0.0219
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0501 0.3095
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0424 0.0444
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.8232 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0501 0.1191
Schistosoma mansoni hypothetical protein 0.0205 0.335 0.407
Loa Loa (eye worm) hypothetical protein 0.0033 0.0447 0.1029
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0169 0.0212
Schistosoma mansoni hypothetical protein 0.0015 0.0155 0.0189
Echinococcus granulosus tumor protein p63 0.0328 0.5425 0.6564
Echinococcus multilocularis GPCR, family 2 0.0015 0.0155 0.0115
Echinococcus granulosus lamin dm0 0.0033 0.0447 0.0471
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0482 0.1134
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.0132
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1242 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0424 0.0515
Schistosoma mansoni intermediate filament proteins 0.0033 0.0447 0.0543
Mycobacterium tuberculosis Conserved hypothetical protein 0.011 0.175 0.1608
Loa Loa (eye worm) hypothetical protein 0.0031 0.0424 0.0962
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0447 0.1035
Schistosoma mansoni hypothetical protein 0.0015 0.0155 0.0189
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.011 0.175 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.1157 0.1406
Echinococcus multilocularis cpg binding protein 0.0037 0.0516 0.0556
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0829 0.2161
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0713 0.1818
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1242 0.1445
Schistosoma mansoni inositol monophosphatase 0.0036 0.0501 0.0609
Plasmodium vivax SET domain protein, putative 0.0031 0.0424 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0501 0.3095
Echinococcus multilocularis musashi 0.0033 0.0447 0.0471
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.0599 1 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0599 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0162 0.0124
Brugia malayi Pre-SET motif family protein 0.0213 0.3494 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0829 0.094
Loa Loa (eye worm) hypothetical protein 0.0048 0.0706 0.1793
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0424 0.0444
Mycobacterium ulcerans hypothetical protein 0.011 0.175 0.1314
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0155 0.0178
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1242 0.3371
Mycobacterium ulcerans hypothetical protein 0.011 0.175 0.1314
Treponema pallidum licC protein (licC) 0.011 0.175 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0501 0.1191
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0061 0.0075
Echinococcus granulosus lamin 0.0033 0.0447 0.0471
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0829 0.094
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0829 0.2155
Brugia malayi Pre-SET motif family protein 0.0031 0.0424 0.0968
Echinococcus multilocularis tumor protein p63 0.0328 0.5425 0.6564
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0424 0.0515
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0829 0.094
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0438 0.0273
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.011 0.175 0.1314
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0097 0.0044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0829 0.1007
Brugia malayi Inositol-1 0.0036 0.0501 0.1196
Echinococcus granulosus cpg binding protein 0.0037 0.0516 0.0556
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0155 0.0115
Schistosoma mansoni hypothetical protein 0.0015 0.0155 0.0189
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0501 0.2102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0829 0.1007
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0676 0.0752
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.3494 1
Schistosoma mansoni cpg binding protein 0.0037 0.0516 0.0627
Brugia malayi intermediate filament protein 0.0033 0.0447 0.1035
Schistosoma mansoni hypothetical protein 0.0015 0.0155 0.0189
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0676 0.0752
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0424 0.0515
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0713 0.1812
Schistosoma mansoni hypothetical protein 0.0494 0.8232 1
Echinococcus multilocularis lamin 0.0033 0.0447 0.0471
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1242 1
Trichomonas vaginalis set domain proteins, putative 0.0242 0.3989 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.0169 0.0219
Schistosoma mansoni inositol monophosphatase 0.0036 0.0501 0.0609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0829 0.094
Loa Loa (eye worm) hypothetical protein 0.0048 0.0713 0.1812
Loa Loa (eye worm) hypothetical protein 0.0015 0.0155 0.0171
Schistosoma mansoni lamin 0.0033 0.0447 0.0543
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1242 0.1509
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0155 0.0171
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1242 0.3376
Echinococcus granulosus dnaJ subfamily B 0.0494 0.8232 1
Echinococcus multilocularis lamin dm0 0.0033 0.0447 0.0471
Loa Loa (eye worm) hypothetical protein 0.0016 0.0162 0.0192
Onchocerca volvulus 0.0033 0.0447 0.0064
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0599 1 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1242 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0155 0.0115
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.0132
Echinococcus granulosus GPCR family 2 0.0015 0.0155 0.0115
Echinococcus multilocularis geminin 0.0205 0.335 0.4025
Echinococcus granulosus geminin 0.0205 0.335 0.4025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0829 0.1007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0424 0.0515
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0501 0.0538
Loa Loa (eye worm) hypothetical protein 0.0033 0.0455 0.1053
Onchocerca volvulus 0.0035 0.0482 0.0164
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0455 0.1059
Schistosoma mansoni cpg binding protein 0.0035 0.0482 0.0586
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1242 1
Schistosoma mansoni hypothetical protein 0.0205 0.335 0.407
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0155 0.0178

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9093 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) = 15.8489 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 (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (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 of PTHR Inhibitors: Primary Screen. (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 MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 39.8107 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
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.