Detailed information for compound 1392850

Basic information

Technical information
  • TDR Targets ID: 1392850
  • Name: 1-[[(4-methoxyphenyl)amino]methyl]pyrrolidine -2,5-dione
  • MW: 234.251 | Formula: C12H14N2O3
  • H donors: 1 H acceptors: 2 LogP: 0.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NCN1C(=O)CCC1=O
  • InChi: 1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)13-8-14-11(15)6-7-12(14)16/h2-5,13H,6-8H2,1H3
  • InChiKey: RHQCCEHGFGFOFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[(4-methoxyphenyl)amino]methyl]pyrrolidine-2,5-quinone
  • 1-{[(4-methoxyphenyl)amino]methyl}-2,5-pyrrolidinedione
  • MLS000535029
  • SMR000142465
  • ChemDiv3_004965
  • Oprea1_306217
  • ZINC00194145
  • IDI1_022875
  • A0654/0030412

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Onchocerca volvulus 0.0107 0.1131 0.2873
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0107 0.1131 0.1125
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0227 0.3004 0.3004
Schistosoma mansoni retinoid-x-receptor (RXR) 0.012 0.1332 0.1326
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0227 0.3004 0.8889
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0248 1
Onchocerca volvulus 0.0227 0.3004 0.7659
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0107 0.1131 0.1131
Brugia malayi nuclear receptor RXR 0.0107 0.1131 0.3334
Loa Loa (eye worm) nuclear receptor NHR-67 0.0107 0.1131 0.3334
Brugia malayi conserved hypotetical protein 0.0107 0.1131 0.3334
Loa Loa (eye worm) hypothetical protein 0.0227 0.3004 0.8889
Loa Loa (eye worm) hypothetical protein 0.0245 0.3282 0.9711
Loa Loa (eye worm) hypothetical protein 0.012 0.1332 0.3929
Echinococcus multilocularis thyroid hormone receptor alpha 0.0227 0.3004 0.3
Schistosoma mansoni hypothetical protein 0.0078 0.0668 0.0662
Brugia malayi nuclear hormone receptor 0.0107 0.1131 0.3334
Loa Loa (eye worm) hypothetical protein 0.0051 0.0248 0.0717
Brugia malayi Nuclear hormone receptor E75 0.0107 0.1131 0.3334
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0021 0.0014
Loa Loa (eye worm) hypothetical protein 0.0227 0.3004 0.8889
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0007 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0227 0.3004 0.7659
Brugia malayi Latrophilin receptor protein 2 0.0078 0.0668 0.1961
Loa Loa (eye worm) hypothetical protein 0.0048 0.0214 0.0615
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0227 0.3004 0.3004
Loa Loa (eye worm) hypothetical protein 0.012 0.1332 0.3929
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0245 0.3282 0.9711
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.1425 0.4205
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.012 0.1332 0.3929
Schistosoma mansoni nuclear hormone receptor 0.0227 0.3004 0.3
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0227 0.3004 0.3
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0248 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0078 0.0668 0.0662
Schistosoma mansoni nuclear receptor 0.0107 0.1131 0.1125
Mycobacterium ulcerans lipase LipD 0.0035 0.0007 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0107 0.1131 0.2873
Schistosoma mansoni hypothetical protein 0.0078 0.0668 0.0662
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.012 0.1332 0.1332
Leishmania major hypothetical protein, conserved 0.0051 0.0248 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Brugia malayi Heterochromatin protein 1 0.007 0.0544 0.1593
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.2962 1
Brugia malayi nuclear receptor NHR-88 0.0107 0.1131 0.3334
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0227 0.3004 0.3
Brugia malayi Nuclear hormone receptor-like 1 0.012 0.1332 0.3929
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0227 0.3004 0.3
Mycobacterium ulcerans beta-lactamase 0.0035 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.0668 0.1961
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0107 0.1131 0.1125
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Trichomonas vaginalis chromobox protein, putative 0.007 0.0544 0.1372
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0078 0.0668 0.0662
Onchocerca volvulus 0.0107 0.1131 0.2873
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0227 0.3004 0.8889
Schistosoma mansoni thyroid hormone receptor 0.0227 0.3004 0.3
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.1425 0.4205
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0227 0.3004 0.8889
Brugia malayi Calcitonin receptor-like protein seb-1 0.0245 0.3282 0.9711
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0047 0.0198 0.0192
Onchocerca volvulus 0.0286 0.3921 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0107 0.1131 0.1131
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0078 0.0668 0.0668
Echinococcus granulosus tar DNA binding protein 0.0126 0.1425 0.1425
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0107 0.1131 0.1131
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0578 0.0572
Brugia malayi TAR-binding protein 0.0126 0.1425 0.4205
Schistosoma mansoni coup transcription factor 0.0227 0.3004 0.3
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0227 0.3004 0.3
Schistosoma mansoni hypothetical protein 0.0078 0.0668 0.0662
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0227 0.3004 0.3004
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0107 0.1131 0.3334
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1283 0.3784
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Mycobacterium ulcerans hypothetical protein 0.0035 0.0007 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0248 0.5
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Schistosoma mansoni hypothetical protein 0.0168 0.2072 0.2067
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0021 0.0014
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0227 0.3004 0.7659
Brugia malayi RNA binding protein 0.0126 0.1425 0.4205
Schistosoma mansoni thyroid hormone receptor 0.0227 0.3004 0.3
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0107 0.1131 0.1125
Loa Loa (eye worm) hypothetical protein 0.012 0.1332 0.3929
Brugia malayi hypothetical protein 0.0107 0.1131 0.3334
Echinococcus multilocularis FTZ F1 alpha 0.0227 0.3004 0.3
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0107 0.1131 0.1125
Brugia malayi nuclear hormone receptor 0.0227 0.3004 0.8889
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0107 0.1131 0.1125
Brugia malayi photoreceptor-specific nuclear receptor 0.0227 0.3004 0.8889
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Echinococcus multilocularis microtubule associated protein 2 0.0676 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0227 0.3004 0.8889
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0227 0.3004 0.3004
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Loa Loa (eye worm) hypothetical protein 0.0227 0.3004 0.8889
Loa Loa (eye worm) hypothetical protein 0.0168 0.2072 0.6124
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0227 0.3004 0.3
Echinococcus granulosus Nuclear hormone receptor HR96 0.0107 0.1131 0.1131
Brugia malayi ecdysone receptor 0.0107 0.1131 0.3334
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0113 0.0271
Brugia malayi nuclear receptor NHR-88 0.0227 0.3004 0.8889
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3379 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0021 0.0014
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1283 0.3784
Schistosoma mansoni steroid hormone receptor ad4bp 0.0227 0.3004 0.3
Schistosoma mansoni nuclear hormone receptor 0.0107 0.1131 0.1125
Brugia malayi MH2 domain containing protein 0.0117 0.1283 0.3784
Entamoeba histolytica hypothetical protein 0.0072 0.0578 0.5
Brugia malayi hypothetical protein 0.0107 0.1131 0.3334
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0227 0.3004 0.3
Echinococcus granulosus FTZ F1 alpha 0.0227 0.3004 0.3004
Brugia malayi nuclear receptor NHR-67 0.0107 0.1131 0.3334
Brugia malayi Steroid receptor seven-up type 2 0.0227 0.3004 0.8889
Schistosoma mansoni nuclear receptor nhr-48 0.0107 0.1131 0.1125
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0248 1
Brugia malayi Pre-SET motif family protein 0.0251 0.3379 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0007 0.5
Schistosoma mansoni hypothetical protein 0.0078 0.0668 0.0662
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3921 1
Brugia malayi steroid hormone receptor 0.0227 0.3004 0.8889
Echinococcus multilocularis tar DNA binding protein 0.0126 0.1425 0.1419
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0021 0.0014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.3282 0.9711
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0578 0.0572
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0227 0.3004 0.8889
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0021 0.0021
Schistosoma mansoni chromobox protein 0.007 0.0544 0.0537
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0227 0.3004 0.8889
Echinococcus multilocularis nuclear receptor nhr 48 0.0107 0.1131 0.1125
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0227 0.3004 0.3004
Echinococcus granulosus chromobox protein 1 0.007 0.0544 0.0544
Echinococcus multilocularis GPCR, family 2 0.0078 0.0668 0.0662
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0227 0.3004 0.8889
Loa Loa (eye worm) RNA binding protein 0.0126 0.1425 0.4205
Schistosoma mansoni tar DNA-binding protein 0.0126 0.1425 0.1419
Loa Loa (eye worm) hypothetical protein 0.0227 0.3004 0.8889
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0227 0.3004 0.8889
Loa Loa (eye worm) hypothetical protein 0.0227 0.3004 0.8889
Schistosoma mansoni hypothetical protein 0.0072 0.0578 0.0572
Schistosoma mansoni tar DNA-binding protein 0.0126 0.1425 0.1419
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0107 0.1131 0.2873
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0248 1
Echinococcus multilocularis chromobox protein 1 0.007 0.0544 0.0537
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0227 0.3004 0.3
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0227 0.3004 0.3
Brugia malayi hypothetical protein 0.0072 0.0578 0.1695
Loa Loa (eye worm) hypothetical protein 0.0227 0.3004 0.8889
Loa Loa (eye worm) hypothetical protein 0.0227 0.3004 0.8889
Echinococcus multilocularis tumor protein p63 0.0331 0.4622 0.4618
Entamoeba histolytica hypothetical protein 0.0072 0.0578 0.5
Onchocerca volvulus 0.0048 0.0214 0.053
Echinococcus granulosus ecdysone induced protein 78C 0.0227 0.3004 0.3004
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0227 0.3004 0.8889
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0227 0.3004 0.3
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0227 0.3004 0.8889
Brugia malayi tailless protein 0.0107 0.1131 0.3334
Loa Loa (eye worm) TAR-binding protein 0.0126 0.1425 0.4205
Echinococcus multilocularis ecdysone induced protein 78C 0.0227 0.3004 0.3
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0227 0.3004 0.8889
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0107 0.1131 0.1125
Echinococcus granulosus chromobox protein 1 0.007 0.0544 0.0544
Echinococcus granulosus thyroid hormone receptor alpha 0.0107 0.1131 0.1131
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0227 0.3004 0.8889
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0227 0.3004 0.3
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Plasmodium vivax SET domain protein, putative 0.0036 0.0021 0.0578
Brugia malayi Nuclear hormone receptor E75 0.0107 0.1131 0.3334
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0227 0.3004 0.3004
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0227 0.3004 0.8889
Brugia malayi hypothetical protein 0.012 0.1332 0.3929
Brugia malayi chromobox protein homolog 3 0.0039 0.0067 0.0178
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0227 0.3004 0.3
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0007 0.0007
Schistosoma mansoni nuclear receptor 0.0107 0.1131 0.1125
Brugia malayi orphan nuclear receptor NR2E1 0.0107 0.1131 0.3334
Schistosoma mansoni tar DNA-binding protein 0.0126 0.1425 0.1419
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Echinococcus multilocularis chromobox protein 1 0.007 0.0544 0.0537
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0021 0.0578
Echinococcus granulosus tumor protein p63 0.0331 0.4622 0.4622
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0227 0.3004 0.3004
Brugia malayi nuclear hormone receptor family member odr-7 0.0107 0.1131 0.3334
Loa Loa (eye worm) latrophilin receptor protein 2 0.0078 0.0668 0.1961
Entamoeba histolytica hypothetical protein 0.0072 0.0578 0.5
Brugia malayi ecdysteroid receptor 0.0227 0.3004 0.8889
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Trichomonas vaginalis chromobox protein, putative 0.007 0.0544 0.1372
Echinococcus granulosus nuclear receptor nhr 48 0.0107 0.1131 0.1131
Mycobacterium leprae Probable lipase LipE 0.0035 0.0007 0.5
Schistosoma mansoni tar DNA-binding protein 0.0126 0.1425 0.1419
Brugia malayi Pre-SET motif family protein 0.0036 0.0021 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0227 0.3004 0.8889
Echinococcus granulosus GPCR family 2 0.0078 0.0668 0.0668
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0227 0.3004 0.8889
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0227 0.3004 0.8889
Loa Loa (eye worm) hypothetical protein 0.0039 0.0067 0.0178
Onchocerca volvulus Bile acid receptor homolog 0.0227 0.3004 0.7659
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0067 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0227 0.3004 0.8889
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.012 0.1332 0.1326
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0107 0.1131 0.1125
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0078 0.0668 0.1961
Schistosoma mansoni microtubule-associated protein tau 0.0676 1 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0007 0.5
Brugia malayi hypothetical protein 0.0051 0.0248 0.0717
Loa Loa (eye worm) hypothetical protein 0.0227 0.3004 0.8889
Schistosoma mansoni chromobox protein 0.007 0.0544 0.0537
Entamoeba histolytica hypothetical protein 0.0072 0.0578 0.5
Schistosoma mansoni nuclear hormone receptor 0.0107 0.1131 0.1125
Loa Loa (eye worm) DR-78 0.0107 0.1131 0.3334
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.012 0.1332 0.1326
Loa Loa (eye worm) steroid hormone receptor 0.0227 0.3004 0.8889
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0227 0.3004 0.3
Brugia malayi nuclear hormone receptor family member nhr-6 0.0107 0.1131 0.3334
Onchocerca volvulus 0.0047 0.0198 0.049
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0078 0.0668 0.0668
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0227 0.3004 0.8889
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0021 0.0014
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0113 0.0271
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0067 0.0153
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0113 0.0271
Schistosoma mansoni retinoic acid receptor RXR 0.0227 0.3004 0.3
Schistosoma mansoni zinc finger protein 0.0107 0.1131 0.1125
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0544 0.1593
Loa Loa (eye worm) hypothetical protein 0.012 0.1332 0.3929
Brugia malayi hypothetical protein 0.012 0.1332 0.3929
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0067 0.0153
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0578 0.0578
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0227 0.3004 0.8889
Loa Loa (eye worm) nuclear hormone receptor 0.0107 0.1131 0.3334
Brugia malayi latrophilin 2 splice variant baaae 0.0168 0.2072 0.6124
Schistosoma mansoni RAR-like nuclear receptor 0.0227 0.3004 0.3
Loa Loa (eye worm) hypothetical protein 0.0107 0.1131 0.3334
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0248 1
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0248 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0214 0.0208
Schistosoma mansoni tar DNA-binding protein 0.0126 0.1425 0.1419
Brugia malayi Nuclear hormone receptor-like 1 0.012 0.1332 0.3929
Brugia malayi nuclear receptor RXR 0.012 0.1332 0.3929
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0227 0.3004 0.8889
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0107 0.1131 0.3334
Loa Loa (eye worm) hypothetical protein 0.012 0.1332 0.3929
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0227 0.3004 0.8889

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 8.9125 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) 20.5962 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 for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference

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.
 
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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