Detailed information for compound 1417873

Basic information

Technical information
  • TDR Targets ID: 1417873
  • Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimidi n-5-yl]-N-ethyl-2-(4-methylquinolin-2-yl)sulf anylacetamide
  • MW: 475.563 | Formula: C25H25N5O3S
  • H donors: 2 H acceptors: 4 LogP: 3.37 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)CSc1cc(C)c2c(n1)cccc2
  • InChi: 1S/C25H25N5O3S/c1-3-29(21(31)15-34-20-13-16(2)18-11-7-8-12-19(18)27-20)22-23(26)30(25(33)28-24(22)32)14-17-9-5-4-6-10-17/h4-13H,3,14-15,26H2,1-2H3,(H,28,32,33)
  • InChiKey: NAHSWENSTJSBND-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide
  • N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-[(4-methyl-2-quinolyl)thio]acetamide
  • N-[6-amino-1-(benzyl)-2,4-diketo-pyrimidin-5-yl]-N-ethyl-2-[(4-methyl-2-quinolyl)thio]acetamide
  • N-[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide
  • ZINC03348032
  • T5320007
  • MLS000335779
  • SMR000253533

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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 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:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0243 0.0816
Brugia malayi TRAF4-associated factor 2 0.0038 0.0222 0.0231
Trypanosoma cruzi cardiolipin synthetase, putative 0.0304 0.2983 1
Brugia malayi PHD-finger family protein 0.0027 0.0107 0.01
Echinococcus granulosus sorting nexin 14 0.0038 0.0222 0.0231
Loa Loa (eye worm) PX domain-containing protein 0.0038 0.0222 0.0276
Schistosoma mansoni zinc finger protein 0.0021 0.0048 0.0054
Plasmodium falciparum phosphatidylglycerophosphate synthase 0.0139 0.1278 1
Plasmodium falciparum mitochondrial cardiolipin synthase, putative 0.0139 0.1278 1
Echinococcus multilocularis sorting nexin 2 0.0038 0.0222 0.0204
Brugia malayi Calcitonin receptor-like protein seb-1 0.0359 0.356 0.4001
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0243 1
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0139 0.1278 0.5
Loa Loa (eye worm) PXA domain-containing protein 0.0038 0.0222 0.0276
Trypanosoma brucei differentiation inhibitory kinase 0.0038 0.0222 0.0745
Trypanosoma cruzi Autophagy-related protein 24 0.0038 0.0222 0.0745
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.0243 0.0274
Loa Loa (eye worm) phosphatidylinositol 3-kinase catalytic subunit gamma 0.0038 0.0222 0.0276
Echinococcus multilocularis GPCR, family 2 0.0114 0.101 0.0994
Echinococcus granulosus sorting nexin 2 0.0038 0.0222 0.0231
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0403 0.0435
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0038 0.0222 0.0276
Schistosoma mansoni hypothetical protein 0.0022 0.0059 0.0067
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.0243 0.1585
Echinococcus granulosus sorting nexin 13 0.0038 0.0222 0.0231
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0567 0.5719 0.7697
Loa Loa (eye worm) hypothetical protein 0.0139 0.1278 0.17
Brugia malayi Phospholipase D. Active site motif family protein 0.0164 0.1536 0.1714
Trypanosoma cruzi PX domain containing protein, putative 0.0038 0.0222 0.0745
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.0494 0.0477
Loa Loa (eye worm) hypothetical protein 0.0114 0.101 0.1339
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0403 0.0435
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0018 0.0021
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0059 0.0055
Brugia malayi PX domain containing protein 0.0038 0.0222 0.0231
Loa Loa (eye worm) phospholipase D 0.0164 0.1536 0.2049
Loa Loa (eye worm) hypothetical protein 0.0076 0.0617 0.0808
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.0243 0.0226
Schistosoma mansoni bromodomain containing protein 0.0068 0.0534 0.0602
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0403 0.0435
Entamoeba histolytica phospholipase D, putative 0.0871 0.8872 1
Toxoplasma gondii phospholipase D active site domain-containing protein 0.0304 0.2983 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0222 0.0276
Plasmodium vivax cardiolipin synthetase, putative 0.0139 0.1278 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0403 0.052
Echinococcus multilocularis phospholipase D 0.0769 0.7817 0.7813
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0403 0.0455
Chlamydia trachomatis phospholipase D superfamily protein 0.0139 0.1278 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0018 0.0061
Loa Loa (eye worm) TRAF4-associated factor 2 0.0038 0.0222 0.0276
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.004 0.0243 1
Brugia malayi hypothetical protein 0.0139 0.1278 0.1422
Loa Loa (eye worm) PX domain-containing protein 0.0038 0.0222 0.0276
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0359 0.356 0.4001
Brugia malayi PX domain containing protein 0.0038 0.0222 0.0231
Brugia malayi PX domain containing protein 0.0038 0.0222 0.0231
Leishmania major zinc finger protein kinase-like 0.0038 0.0222 0.1448
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0403 0.0386
Toxoplasma gondii hypothetical protein 0.0038 0.0222 0.0688
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.0243 0.0254
Loa Loa (eye worm) hypothetical protein 0.0038 0.0222 0.0276
Echinococcus multilocularis Phox 0.0038 0.0222 0.0204
Loa Loa (eye worm) hypothetical protein 0.0041 0.0257 0.0322
Loa Loa (eye worm) hypothetical protein 0.0038 0.0222 0.0276
Echinococcus granulosus sorting nexin 0.0038 0.0222 0.0231
Loa Loa (eye worm) hypothetical protein 0.004 0.0243 0.0304
Schistosoma mansoni hypothetical protein 0.0114 0.101 0.1139
Echinococcus granulosus GPCR family 2 0.0114 0.101 0.112
Echinococcus multilocularis sorting nexin 6 0.0038 0.0222 0.0204
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0139 0.1278 0.5
Brugia malayi Protein K4 0.0139 0.1278 0.1422
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0179 0.1685 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7424 1
Schistosoma mansoni sortingnexin-related 0.0038 0.0222 0.0251
Trypanosoma cruzi PX domain containing protein, putative 0.0038 0.0222 0.0745
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0018 0.0119
Loa Loa (eye worm) hypothetical protein 0.0018 0.002 0.0002
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.0243 0.0024
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0243 1
Echinococcus multilocularis geminin 0.0205 0.1955 0.194
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0038 0.0222 0.0251
Echinococcus granulosus Phox 0.0038 0.0222 0.0231
Schistosoma mansoni sorting nexin 0.0038 0.0222 0.0251
Schistosoma mansoni hypothetical protein 0.0114 0.101 0.1139
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.023 0.0239
Schistosoma mansoni sorting nexin 0.0038 0.0222 0.0251
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0243 1
Brugia malayi N-terminal motif family protein 0.0179 0.1685 0.1883
Trypanosoma cruzi hypothetical protein 0.0038 0.0222 0.0745
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.002 0.0022
Brugia malayi PXA domain containing protein 0.0038 0.0222 0.0231
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0403 0.0386
Schistosoma mansoni phospholipase D 0.0871 0.8872 1
Brugia malayi Bromodomain containing protein 0.0041 0.0256 0.0268
Echinococcus granulosus zinc finger protein 0.0021 0.0048 0.0033
Chlamydia trachomatis phospholipase D superfamily protein 0.0139 0.1278 0.5
Echinococcus granulosus phospholipase d3 0.0164 0.1536 0.1714
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.002 0.0001
Loa Loa (eye worm) hypothetical protein 0.0179 0.1685 0.2251
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0018 0.0061
Echinococcus granulosus phospholipase D1 0.0871 0.8872 1
Loa Loa (eye worm) hypothetical protein 0.0567 0.5719 0.7697
Trypanosoma cruzi Autophagy-related protein 24 0.0038 0.0222 0.0745
Schistosoma mansoni hypothetical protein 0.0114 0.101 0.1139
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.0243 0.0254
Trypanosoma cruzi cardiolipin synthetase, putative 0.0304 0.2983 1
Echinococcus multilocularis sorting nexin 14 0.0038 0.0222 0.0204
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0114 0.101 0.0994
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.023 0.0212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0038 0.0222 0.0231
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0026 0.0011
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0243 0.0816
Brugia malayi latrophilin 2 splice variant baaae 0.0246 0.238 0.2667
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.002 0.0022
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0243 0.0816
Trypanosoma brucei cardiolipin synthetase 0.0304 0.2983 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.002 0.0001
Loa Loa (eye worm) sorting nexin 12 0.0038 0.0222 0.0276
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.002 0.0022
Brugia malayi Latrophilin receptor protein 2 0.0114 0.101 0.112
Loa Loa (eye worm) hypothetical protein 0.0046 0.0304 0.0386
Echinococcus granulosus phospholipase D 0.0769 0.7817 0.8808
Schistosoma mansoni sorting nexin 0.0038 0.0222 0.0251
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0139 0.1278 0.5
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0038 0.0222 0.0688
Echinococcus multilocularis sorting nexin 4 0.0038 0.0222 0.0204
Echinococcus multilocularis phospholipase d3 0.0164 0.1536 0.152
Schistosoma mansoni hypothetical protein 0.0205 0.1955 0.2204
Entamoeba histolytica phospholipase D active site domain-containing protein 0.0731 0.7424 0.8326
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0081 0.007
Brugia malayi PX domain containing protein 0.0038 0.0222 0.0231
Echinococcus multilocularis zinc finger protein 0.0021 0.0048 0.0029
Echinococcus multilocularis 0.0038 0.0222 0.0204
Trypanosoma brucei PX domain containing protein, putative 0.0038 0.0222 0.0745
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.0494 0.0537
Trypanosoma cruzi hypothetical protein 0.0038 0.0222 0.0745
Echinococcus granulosus sorting nexin 6 0.0038 0.0222 0.0231
Echinococcus multilocularis phospholipase D1 0.0871 0.8872 0.887
Plasmodium vivax phosphatidylglycerophosphate synthase, putative 0.0139 0.1278 1
Entamoeba histolytica phospholipase D, putative 0.0871 0.8872 1
Brugia malayi Phospholipase d protein 1 0.0871 0.8872 1
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0139 0.1278 0.5
Schistosoma mansoni hypothetical protein 0.0246 0.238 0.2682
Trypanosoma brucei Autophagy-related protein 24 0.0038 0.0222 0.0745
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.0243 0.0274
Trypanosoma cruzi hypothetical protein 0.0038 0.0222 0.0745
Onchocerca volvulus Putative phospholipase D 0.0164 0.1536 0.8976
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.002 0.0022
Schistosoma mansoni sorting nexin 0.0038 0.0222 0.0251
Trypanosoma cruzi PX domain containing protein, putative 0.0038 0.0222 0.0745
Trypanosoma brucei PX domain containing protein, putative 0.0038 0.0222 0.0745
Plasmodium falciparum phosphoinositide-binding protein, putative 0.0038 0.0222 0.1621
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0114 0.101 0.112
Loa Loa (eye worm) hypothetical protein 0.0731 0.7424 1
Loa Loa (eye worm) hypothetical protein 0.0359 0.356 0.4783
Schistosoma mansoni CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase 0.0139 0.1278 0.144
Entamoeba histolytica hypothetical protein 0.0054 0.0389 0.0193
Brugia malayi PXA domain containing protein 0.0038 0.0222 0.0231
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.0243 0.0226
Trypanosoma brucei phosphatidylglycerolphosphate synthase, mitochondrial 0.0139 0.1278 0.4282
Schistosoma mansoni hypothetical protein 0.0205 0.1955 0.2204
Leishmania major phosphoinositide-binding protein, putative 0.0038 0.0222 0.1448
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0018 0.0061
Leishmania major cardiolipin synthetase, putative 0.0139 0.1278 0.832
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.0243 0.0226
Brugia malayi PX domain containing protein 0.0038 0.0222 0.0231
Plasmodium vivax WD domain, G-beta repeat domain containing protein 0.0038 0.0222 0.1621
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0403 0.0455
Echinococcus granulosus ribosomal protein S6 kinase delta 1 0.0038 0.0222 0.0231
Echinococcus multilocularis sorting nexin 0.0038 0.0222 0.0204
Loa Loa (eye worm) hypothetical protein 0.0164 0.1536 0.2049
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0081 0.0062
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.002 0.0001
Brugia malayi Variant SH3 domain containing protein 0.0038 0.0222 0.0231
Loa Loa (eye worm) hypothetical protein 0.0038 0.0222 0.0276
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0114 0.101 0.0994
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0018 0.0061
Echinococcus granulosus sorting nexin 4 0.0038 0.0222 0.0231
Echinococcus multilocularis nischarin 0.0038 0.0222 0.0204
Loa Loa (eye worm) hypothetical protein 0.0044 0.0283 0.0358
Trypanosoma brucei cardiolipin synthetase, putative 0.0304 0.2983 1
Echinococcus multilocularis ribosomal protein S6 kinase delta 1 0.0038 0.0222 0.0204
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.0243 0.0254
Leishmania major phosphatidylglycerophosphate synthase, putative 0.0164 0.1536 1
Brugia malayi Sorting nexin 12 0.0038 0.0222 0.0231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0403 0.0455
Echinococcus granulosus sorting nexin 0.0038 0.0222 0.0231
Echinococcus granulosus nischarin 0.0038 0.0222 0.0231
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0359 0.356 0.4783
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0222 0.1621
Trypanosoma cruzi zinc finger protein kinase, putative 0.0038 0.0222 0.0745
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.002 0.0001
Brugia malayi Bromodomain containing protein 0.008 0.0664 0.073
Loa Loa (eye worm) hypothetical protein 0.0246 0.238 0.3189
Echinococcus granulosus geminin 0.0205 0.1955 0.2187
Leishmania major hypothetical protein, conserved 0.0038 0.0222 0.1448
Loa Loa (eye worm) latrophilin receptor protein 2 0.0114 0.101 0.1339
Wolbachia endosymbiont of Brugia malayi cardiolipin synthase 0.0139 0.1278 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0114 0.101 0.112
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0081 0.0091
Loa Loa (eye worm) PX domain-containing protein 0.0038 0.0222 0.0276
Brugia malayi Phospholipase D. Active site motif family protein 0.0304 0.2983 0.3349
Plasmodium falciparum phosphoinositide-binding protein, putative 0.0038 0.0222 0.1621
Schistosoma mansoni hypothetical protein 0.0114 0.101 0.1139
Echinococcus multilocularis sorting nexin 0.0038 0.0222 0.0204
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.0243 0.0254
Brugia malayi PX domain containing protein 0.0038 0.0222 0.0231
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0114 0.101 0.112

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 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) 8.1961 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) 16.3601 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 Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) = 39.8107 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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